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

C18H15NO3 — CID 788302

IUPAC2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
SMILESCc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1
InChIInChI=1S/C18H15NO3/c1-11-7-8-15-13(9-11)17(12-5-3-2-4-6-12)14(10-16(20)21)18(22)19-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNAOPCRAIYGPGOJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.13
Rot. Bonds3

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

2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid (PubChem CID 788302) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
PubChem CID788302
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid
SMILESCc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1
InChIInChI=1S/C18H15NO3/c1-11-7-8-15-13(9-11)17(12-5-3-2-4-6-12)14(10-16(20)21)18(22)19-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNAOPCRAIYGPGOJ-UHFFFAOYSA-N
XLogP3.13
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-Chloro-2-oxo-4-phenyl-1,2-dihydroquinolin-3-yl)acetic acid
CID 921795
N-(2,4-dimethylphenyl)-2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetamide
CID 54686494
4-(2,6-Dimethylanilino)-4-Oxobutanoic Acid
CID 338260
3-(4-Methylphenyl)-2-oxo-1,2-dihydro-4-quinolinecarboxylic acid
CID 1476800
4-(3-Ethylanilino)-4-oxobutanoic acid
CID 888006
Succinamic acid, N-(3,4-dimethylphenyl)-
CID 578337
4-Oxo-4-(p-tolylamino)butanoic acid
CID 675566
N-(O-Tolyl)succinamic acid
CID 693363
(E)-3-[3-(3-methylbut-2-enyl)-4-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 135304528
(E)-3-[3-(3-methylbut-2-enyl)-4-(4-phenylbutanoylamino)phenyl]prop-2-enoic acid
CID 135304531
(E)-3-[5-(3-methylbut-2-enyl)-2-(3-phenylpropanoylamino)phenyl]prop-2-enoic acid
CID 135304571
3-Methyl-4-phenyl-1,2-dihydroquinolin-2-one
CID 616488

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid (CID 788302) is 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid is Cc1ccc2[nH]c(=O)c(CC(=O)O)c(-c3ccccc3)c2c1.
What is the InChIKey of 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
The InChIKey is NAOPCRAIYGPGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-11-7-8-15-13(9-11)17(12-5-3-2-4-6-12)14(10-16(20)21)18(22)19-15/h2-9H,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid?
2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid has a molecular weight of 293.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-4-phenyl-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 788302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).