6-amino-4-methyl-1,4-benzoxazin-3-one

C9H10N2O2 — CID 2764463

IUPAC6-amino-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(N)cc21
InChIInChI=1S/C9H10N2O2/c1-11-7-4-6(10)2-3-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
InChIKeyQXLKSGOSLHFMIU-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.62
Rot. Bonds

About 6-amino-4-methyl-1,4-benzoxazin-3-one

6-amino-4-methyl-1,4-benzoxazin-3-one (PubChem CID 2764463) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-amino-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-amino-4-methyl-1,4-benzoxazin-3-one
PubChem CID2764463
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name6-amino-4-methyl-1,4-benzoxazin-3-one
SMILESCN1C(=O)COc2ccc(N)cc21
InChIInChI=1S/C9H10N2O2/c1-11-7-4-6(10)2-3-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3
InChIKeyQXLKSGOSLHFMIU-UHFFFAOYSA-N
XLogP0.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-4-methyl-1,4-benzoxazin-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-amino-4-methyl-1,4-benzoxazin-3-one (CID 2764463) is 6-amino-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-amino-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-amino-4-methyl-1,4-benzoxazin-3-one is CN1C(=O)COc2ccc(N)cc21.
What is the InChIKey of 6-amino-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is QXLKSGOSLHFMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-11-7-4-6(10)2-3-8(7)13-5-9(11)12/h2-4H,5,10H2,1H3.
What are the key properties of 6-amino-4-methyl-1,4-benzoxazin-3-one?
6-amino-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 178.19 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 2764463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).