2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one

C16H14N2O2 — CID 15940445

IUPAC2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc(N)c(-c2nc3ccc(C)cc3c(=O)o2)c1
InChIInChI=1S/C16H14N2O2/c1-9-3-5-13(17)11(7-9)15-18-14-6-4-10(2)8-12(14)16(19)20-15/h3-8H,17H2,1-2H3
InChIKeyHRVIHSVUWBPUOR-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.05
Rot. Bonds1

About 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one

2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one (PubChem CID 15940445) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one
PubChem CID15940445
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one
SMILESCc1ccc(N)c(-c2nc3ccc(C)cc3c(=O)o2)c1
InChIInChI=1S/C16H14N2O2/c1-9-3-5-13(17)11(7-9)15-18-14-6-4-10(2)8-12(14)16(19)20-15/h3-8H,17H2,1-2H3
InChIKeyHRVIHSVUWBPUOR-UHFFFAOYSA-N
XLogP3.05
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one?
The IUPAC name of 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one (CID 15940445) is 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one is Cc1ccc(N)c(-c2nc3ccc(C)cc3c(=O)o2)c1.
What is the InChIKey of 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one?
The InChIKey is HRVIHSVUWBPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-3-5-13(17)11(7-9)15-18-14-6-4-10(2)8-12(14)16(19)20-15/h3-8H,17H2,1-2H3.
What are the key properties of 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one?
2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-methylphenyl)-6-methyl-3,1-benzoxazin-4-one is sourced from PubChem (CID 15940445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).