2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid

C16H9Cl2NO3 — CID 13421630

IUPAC2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1
InChIInChI=1S/C16H9Cl2NO3/c17-11-3-1-8(6-12(11)18)14-7-15(20)10-5-9(16(21)22)2-4-13(10)19-14/h1-7H,(H,19,20)(H,21,22)
InChIKeyFUPMXOVOSHECNQ-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.20
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid

2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 13421630) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
PubChem CID13421630
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1
InChIInChI=1S/C16H9Cl2NO3/c17-11-3-1-8(6-12(11)18)14-7-15(20)10-5-9(16(21)22)2-4-13(10)19-14/h1-7H,(H,19,20)(H,21,22)
InChIKeyFUPMXOVOSHECNQ-UHFFFAOYSA-N
XLogP4.20
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 13421614
2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylic acid
CID 13421655
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid
CID 11393662
3-chloro-9H-pyrido[2,3-b]indole-6-carboxylic acid
CID 46185400
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 10541755
7-chloro-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686797
2-(4-hydroxyphenyl)-6-methyl-1H-quinolin-4-one
CID 10658383
7-fluoro-9-oxo-10H-acridine-2-carboxylic acid
CID 75478956
1-chloro-6-oxo-5H-benzo[c][1,8]naphthyridine-8-carboxylic acid
CID 123921843
4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
CID 54737899

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid (CID 13421630) is 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)c3)cc(=O)c2c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is FUPMXOVOSHECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-11-3-1-8(6-12(11)18)14-7-15(20)10-5-9(16(21)22)2-4-13(10)19-14/h1-7H,(H,19,20)(H,21,22).
What are the key properties of 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid?
2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 334.16 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 13421630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).