2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid

C17H13N3O3 — CID 27035862

IUPAC2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
SMILESCc1nc2ccccc2nc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H13N3O3/c1-10-15(19-14-9-5-4-8-13(14)18-10)16(21)20-12-7-3-2-6-11(12)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyPSCJBAYCACBZOY-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.89
Rot. Bonds3

About 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid

2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid (PubChem CID 27035862) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
PubChem CID27035862
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid
SMILESCc1nc2ccccc2nc1C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H13N3O3/c1-10-15(19-14-9-5-4-8-13(14)18-10)16(21)20-12-7-3-2-6-11(12)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23)
InChIKeyPSCJBAYCACBZOY-UHFFFAOYSA-N
XLogP2.89
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[(4-hydroxybenzoyl)amino]benzoic acid
CID 143368686
(E)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
CID 135863219
(Z)-4-hydroxy-3-(3-methylquinoxalin-2-yl)pent-3-en-2-one
CID 135407277
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
2-[(2,6-dimethylbenzoyl)amino]benzoic acid
CID 107999955
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
2-[[2-(methylamino)benzoyl]amino]benzoic acid
CID 12819847
2-[(2-acetylbenzoyl)amino]benzoic acid
CID 71162267
2-[(3,5-dimethylbenzoyl)amino]benzoic acid
CID 16771715
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
6,7-difluoro-N-(2-methoxyphenyl)-3-methylquinoxaline-2-carboxamide
CID 23963431

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid (CID 27035862) is 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid is Cc1nc2ccccc2nc1C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid?
The InChIKey is PSCJBAYCACBZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-10-15(19-14-9-5-4-8-13(14)18-10)16(21)20-12-7-3-2-6-11(12)17(22)23/h2-9H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid?
2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid has a molecular weight of 307.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylquinoxaline-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 27035862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).