3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid

C17H12N2O4 — CID 679194

IUPAC3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C17H12N2O4/c20-15-12-6-1-2-7-14(12)18-9-13(15)16(21)19-11-5-3-4-10(8-11)17(22)23/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyKLZSWXRGJWXHSJ-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.48
Rot. Bonds3

About 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid

3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid (PubChem CID 679194) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
PubChem CID679194
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1
InChIInChI=1S/C17H12N2O4/c20-15-12-6-1-2-7-14(12)18-9-13(15)16(21)19-11-5-3-4-10(8-11)17(22)23/h1-9H,(H,18,20)(H,19,21)(H,22,23)
InChIKeyKLZSWXRGJWXHSJ-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

3-tert-butylaniline;N-(3-tert-butylphenyl)-4-oxo-1H-quinoline-3-carboxamide;methane;4-oxo-1H-quinoline-3-carboxylic acid
CID 159414428
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
N-(4-bromo-3-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide
CID 39896040
4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
CID 11500516
N-[2-(3-bromoanilino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55753979
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
N-(1H-indazol-5-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 60543842
N-[4-(dimethylamino)phenyl]-4-oxo-1H-quinoline-3-carboxamide
CID 13151201
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 66676066
N-[2-[(3-acetamidophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 47056675

Frequently Asked Questions

What is the IUPAC name of 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The IUPAC name of 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid (CID 679194) is 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid is O=C(O)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1.
What is the InChIKey of 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The InChIKey is KLZSWXRGJWXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-15-12-6-1-2-7-14(12)18-9-13(15)16(21)19-11-5-3-4-10(8-11)17(22)23/h1-9H,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic 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 3-[(4-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 679194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).