4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid

C17H12N2O4 — CID 11500516

IUPAC4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
SMILESO=C(Nc1ccccc1)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C17H12N2O4/c20-15-12-7-6-10(8-14(12)18-9-13(15)17(22)23)16(21)19-11-4-2-1-3-5-11/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyMLRORSDRSRQPCU-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.48
Rot. Bonds3

About 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid

4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid (PubChem CID 11500516) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
PubChem CID11500516
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
SMILESO=C(Nc1ccccc1)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1
InChIInChI=1S/C17H12N2O4/c20-15-12-7-6-10(8-14(12)18-9-13(15)17(22)23)16(21)19-11-4-2-1-3-5-11/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyMLRORSDRSRQPCU-UHFFFAOYSA-N
XLogP2.48
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 679194
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
6-amino-N-phenyl-1H-indole-3-carboxamide;hydrochloride
CID 71938706
3-tert-butylaniline;N-(3-tert-butylphenyl)-4-oxo-1H-quinoline-3-carboxamide;methane;4-oxo-1H-quinoline-3-carboxylic acid
CID 159414428
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
CID 59023663

Frequently Asked Questions

What is the IUPAC name of 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid (CID 11500516) is 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid is O=C(Nc1ccccc1)c1ccc2c(=O)c(C(=O)O)c[nH]c2c1.
What is the InChIKey of 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid?
The InChIKey is MLRORSDRSRQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-15-12-7-6-10(8-14(12)18-9-13(15)17(22)23)16(21)19-11-4-2-1-3-5-11/h1-9H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid?
4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid has a molecular weight of 308.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 11500516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).