6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one

C16H15NO3 — CID 117001096

IUPAC6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cc1
InChIInChI=1S/C16H15NO3/c1-17-14-9-12(5-8-15(14)20-10-16(17)18)11-3-6-13(19-2)7-4-11/h3-9H,10H2,1-2H3
InChIKeyYSYBJLRCMNQVJM-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.72
Rot. Bonds2

About 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one

6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 117001096) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID117001096
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cc1
InChIInChI=1S/C16H15NO3/c1-17-14-9-12(5-8-15(14)20-10-16(17)18)11-3-6-13(19-2)7-4-11/h3-9H,10H2,1-2H3
InChIKeyYSYBJLRCMNQVJM-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4-methoxyphenyl)-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

Related Compounds

6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 44722665
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
(3,5-dimethoxyphenyl)-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidin-2-yl]azanium
CID 142893432
6-[2-(3-methoxyanilino)-4-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 10338616
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
6-(6-amino-2-methylpyrimidin-4-yl)-4-methyl-1,4-benzoxazin-3-one
CID 96667520
6-[2-(2-chloro-5-methoxyphenyl)acetyl]-4-methyl-1,4-benzoxazin-3-one
CID 66697222
6-[2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanoyl]-4-methyl-1,4-benzoxazin-3-one
CID 136685784
4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pyrimidine-2-carbonitrile
CID 116900870
4-methyl-6-piperidin-4-yloxy-1,4-benzoxazin-3-one
CID 22326696
methyl 2-amino-4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)thiophene-3-carboxylate
CID 39079228
6-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-4-methyl-1,4-benzoxazin-3-one
CID 82360077

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one (CID 117001096) is 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one is COc1ccc(-c2ccc3c(c2)N(C)C(=O)CO3)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is YSYBJLRCMNQVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17-14-9-12(5-8-15(14)20-10-16(17)18)11-3-6-13(19-2)7-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one?
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 269.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 117001096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).