3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid

C15H13N3O3 — CID 115934088

IUPAC3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
SMILESNc1cccc(C(=O)O)c1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H13N3O3/c16-10-5-3-4-9(15(20)21)14(10)18-8-13(19)17-11-6-1-2-7-12(11)18/h1-7H,8,16H2,(H,17,19)(H,20,21)
InChIKeyFUDHKAYAXMJURN-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.06
Rot. Bonds2

About 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid

3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid (PubChem CID 115934088) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
PubChem CID115934088
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid
SMILESNc1cccc(C(=O)O)c1N1CC(=O)Nc2ccccc21
InChIInChI=1S/C15H13N3O3/c16-10-5-3-4-9(15(20)21)14(10)18-8-13(19)17-11-6-1-2-7-12(11)18/h1-7H,8,16H2,(H,17,19)(H,20,21)
InChIKeyFUDHKAYAXMJURN-UHFFFAOYSA-N
XLogP2.06
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
3-amino-2-(2-ethyl-3,5-dioxopiperazin-1-yl)benzoic acid
CID 115935225
2-oxo-5-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-6-carboxylic acid
CID 115933758
4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577479
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 28822400
4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577478
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-(2-methoxyethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577501
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 107928491

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid?
The IUPAC name of 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid (CID 115934088) is 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid.
What is the SMILES notation for 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid?
The canonical SMILES for 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid is Nc1cccc(C(=O)O)c1N1CC(=O)Nc2ccccc21.
What is the InChIKey of 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid?
The InChIKey is FUDHKAYAXMJURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c16-10-5-3-4-9(15(20)21)14(10)18-8-13(19)17-11-6-1-2-7-12(11)18/h1-7H,8,16H2,(H,17,19)(H,20,21).
What are the key properties of 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid?
3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid has a molecular weight of 283.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzoic acid is sourced from PubChem (CID 115934088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).