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Screening compounds

PD 160336

Also known as 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(4-methylphenyl)-4-oxo-7-(1-piperazinyl)-, 6-fluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid, 6-Fluoro-4-oxo-7-(piperazin-1-yl)-1-(p-tolyl)-1,4-dihydroquinoline-3-carboxylic acid

CAS 149092-00-2Formula C21H20FN3O3Molar mass 381.41 g/mol
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PD 160336 chemical structure, C21H20FN3O3, CAS 149092-00-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
149092-00-2
Formula
C21H20FN3O3
Molar mass
381.41 g/mol
HS code
293359
Category
Screening compounds

What is PD 160336?

Plain description, key identifiers and synonyms

PD 160336 is a chemical substance with the molecular formula C21H20FN3O3 and a molar mass of 381.41 g/mol. Its CAS registry number is 149092-00-2. The IUPAC name is 6-fluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-fluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
CAS number
149092-00-2 CAS number cross-checked
Molecular formula
C21H20FN3O3
InChIKey
QEFDSJQBPGAMEG-UHFFFAOYSA-N
InChI
InChI=1S/C21H20FN3O3/c1-13-2-4-14(5-3-13)25-12-16(21(27)28)20(26)15-10-17(22)19(11-18(15)25)24-8-6-23-7-9-24/h2-5,10-12,23H,6-9H2,1H3,(H,27,28)
SMILES (canonical and isomeric)
CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Synonyms

  • 3-Quinolinecarboxylic acid, 6-fluoro-1,4-dihydro-1-(4-methylphenyl)-4-oxo-7-(1-piperazinyl)-
  • 6-fluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid
  • 6-Fluoro-4-oxo-7-(piperazin-1-yl)-1-(p-tolyl)-1,4-dihydroquinoline-3-carboxylic acid
  • 6-Fluoro-1-(4-methylphenyl)-4-oxo-7-(1-piperazinyl)-1,4-dihydro-3-quinolinecarboxylic acid
  • 6-fluoro-1-(4-methylphenyl)-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
  • 6-fluoro-4-oxo-7-piperazin-1-yl-1-(p-tolyl)quinoline-3-carboxylic acid
  • 6-Fluoro-4-oxo-7-(piperazin-1-yl)-1-(p-tolyl)-1,4-dihydroquinoline-3-carboxylicacid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
381.41 g/molcalc.
Exact mass
381.1489 Dacalc.
LogP (octanol/water)
2.55calc.
Topological polar surface area
74.57 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
28calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.24calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=c1ccn(-c2ccccc2)c2cc(N3CCNCC3)ccc12

O=c1ccn(-c2ccccc2)c2cc(N3CCNCC3)ccc12

4 rings, 23 atoms.

50 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

PD 160336 suppliers

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PD 160336 price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code PD 160336 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for PD 160336 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about PD 160336, based on the data on this page

What is PD 160336?

PD 160336 is a chemical substance with the molecular formula C21H20FN3O3 and a molar mass of 381.41 g/mol. Its CAS registry number is 149092-00-2. The IUPAC name is 6-fluoro-1-(4-methylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid.

What is the CAS number of PD 160336?

The CAS registry number of PD 160336 is 149092-00-2.

What is the molecular formula and weight of PD 160336?

The molecular formula of PD 160336 is C21H20FN3O3 and its molar mass is 381.41 g/mol.

What is PD 160336 used for?

Known uses and roles of PD 160336 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is PD 160336 hazardous?

No GHS hazard classification for PD 160336 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of PD 160336?

PD 160336 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy PD 160336?

Post a free request on CompoundList and suppliers of PD 160336 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of PD 160336?

Suppliers quote PD 160336 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle PD 160336

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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