2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid

C17H12ClNO3 — CID 921795

IUPAC2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeySHDUUQWYFNJIAG-UHFFFAOYSA-N
MW313.74 g/mol
LogP3.48
Rot. Bonds3

About 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid

2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid (PubChem CID 921795) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
PubChem CID921795
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
InChIInChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21)
InChIKeySHDUUQWYFNJIAG-UHFFFAOYSA-N
XLogP3.48
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Chloro-2-hydroxy-4-phenylquinolin-3-yl)ethanone
CID 678849
2-(6-Methyl-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
CID 788302
3-Amino-6-chloro-4-phenylquinolin-2-ol
CID 3810484
6-Chloro-4-phenyl-1,2-dihydroquinolin-2-one
CID 878295
4-(5-Chloro-2-methylanilino)-4-oxobutanoic acid
CID 693078
2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]acetic acid
CID 748047
2-[6-bromo-4-(2-chlorophenyl)-2-oxo-1H-quinolin-3-yl]acetic Acid
CID 1926360
N-(4-Chloro-phenyl)-3-(4-methyl-benzyl)-succinamic acid
CID 2909389
6-Chloro-2-oxo-1,2-dihydroquinoline-4-carboxylic acid
CID 1133047
4-[(4-Chlorophenyl)amino]-2-(3,5-dimethylbenzyl)-4-oxobutanoic acid
CID 20417840
4-(4-Chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
6-Chloro-4-(2-chlorophenyl)-3-(2-hydroxyethyl)-1-prop-2-enylquinolin-2-one
CID 51031199

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid (CID 921795) is 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid is O=C(O)Cc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.
What is the InChIKey of 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
The InChIKey is SHDUUQWYFNJIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c18-11-6-7-14-12(8-11)16(10-4-2-1-3-5-10)13(9-15(20)21)17(22)19-14/h1-8H,9H2,(H,19,22)(H,20,21).
What are the key properties of 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid has a molecular weight of 313.74 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 921795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).