2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid

C10H9NO4 — CID 82275003

IUPAC2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
SMILESCC1Oc2cccc(C(=O)O)c2NC1=O
InChIInChI=1S/C10H9NO4/c1-5-9(12)11-8-6(10(13)14)3-2-4-7(8)15-5/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyYLAQPLJRGILBST-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid

2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid (PubChem CID 82275003) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
PubChem CID82275003
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
SMILESCC1Oc2cccc(C(=O)O)c2NC1=O
InChIInChI=1S/C10H9NO4/c1-5-9(12)11-8-6(10(13)14)3-2-4-7(8)15-5/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyYLAQPLJRGILBST-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-oxo-4H-1,4-benzoxazine-5-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

(2S)-5-acetyl-2-hydroxy-4H-1,4-benzoxazin-3-one
CID 27059671
2-methyl-5-pyrrolidin-1-yl-4H-1,4-benzoxazin-3-one
CID 168513850
5-acetyl-2-methoxy-4H-1,4-benzoxazin-3-one
CID 10680481
2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376415
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713456
9-chloro-10H-phenoxazine-1-carboxylic acid
CID 151951306
10H-phenoxazine-1,8-dicarboxylic acid
CID 125480198
7,8-dichloro-10H-phenoxazine-1-carboxylic acid
CID 59917041
3-(2-fluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
CID 110713436
2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazine-8-carbonyl)amino]acetic acid
CID 119135794
2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide
CID 110742135
2-methyl-7-phenyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117000701

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid (CID 82275003) is 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid is CC1Oc2cccc(C(=O)O)c2NC1=O.
What is the InChIKey of 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
The InChIKey is YLAQPLJRGILBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-9(12)11-8-6(10(13)14)3-2-4-7(8)15-5/h2-5H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid?
2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid is sourced from PubChem (CID 82275003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).