2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid

C9H7NO5 — CID 57367173

IUPAC2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OC(O)C(=O)N2
InChIInChI=1S/C9H7NO5/c11-7-9(14)15-6-3-4(8(12)13)1-2-5(6)10-7/h1-3,9,14H,(H,10,11)(H,12,13)
InChIKeyWNQPNUHYIDNWAM-UHFFFAOYSA-N
MW209.16 g/mol
LogP0.03
Rot. Bonds1

About 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid

2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid (PubChem CID 57367173) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
PubChem CID57367173
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)OC(O)C(=O)N2
InChIInChI=1S/C9H7NO5/c11-7-9(14)15-6-3-4(8(12)13)1-2-5(6)10-7/h1-3,9,14H,(H,10,11)(H,12,13)
InChIKeyWNQPNUHYIDNWAM-UHFFFAOYSA-N
XLogP0.03
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxo-2-(2-phenylethyl)-4H-1,4-benzoxazine-7-carboxylic acid
CID 142671786
(3S)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-8-carboxylic acid
CID 94976840
2-sulfanyl-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid
CID 163469810
2-methyl-3-oxo-N-phenyl-4H-1,4-benzoxazine-7-carboxamide
CID 110682825
2,2-dimethyl-4-oxo-3,5-dihydro-1,5-benzoxazepine-8-carboxylic acid
CID 82231700
3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
CID 115096140
N-benzyl-N,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682780
3-methyl-2-oxo-1,3,4,5-tetrahydro-1,5-benzodiazepine-7-carboxylic acid
CID 82790802
methyl 2-(2-bromoethyl)-3-oxo-4H-1,4-benzoxazine-7-carboxylate
CID 142671791
7-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 110682831
2-methyl-1,3-benzodioxole-5-carboxylic acid
CID 15546141
2-fluoro-1,3-benzodioxole-5-carboxylic acid
CID 141403033

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid?
The IUPAC name of 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid (CID 57367173) is 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid.
What is the SMILES notation for 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid?
The canonical SMILES for 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid is O=C(O)c1ccc2c(c1)OC(O)C(=O)N2.
What is the InChIKey of 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid?
The InChIKey is WNQPNUHYIDNWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c11-7-9(14)15-6-3-4(8(12)13)1-2-5(6)10-7/h1-3,9,14H,(H,10,11)(H,12,13).
What are the key properties of 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid?
2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid is sourced from PubChem (CID 57367173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).