7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one

C16H16N2O3 — CID 24886438

IUPAC7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc(CNc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C16H16N2O3/c1-20-13-5-2-11(3-6-13)9-17-12-4-7-14-15(8-12)21-10-16(19)18-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyPKOGJFJMYISTRI-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.64
Rot. Bonds4

About 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one

7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one (PubChem CID 24886438) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
PubChem CID24886438
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCOc1ccc(CNc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C16H16N2O3/c1-20-13-5-2-11(3-6-13)9-17-12-4-7-14-15(8-12)21-10-16(19)18-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyPKOGJFJMYISTRI-UHFFFAOYSA-N
XLogP2.64
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-[(4-fluorophenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24867130
7-[(3-methoxy-4-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 99840885
7-[(5-methoxy-1-benzofuran-2-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 75521748
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497
6-bromo-N-[(4-methoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 34030014
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 82212135
7-(1H-pyrazol-5-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 75521753
2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 46911637
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
1-[[4-(dimethylamino)phenyl]methyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893272

Frequently Asked Questions

What is the IUPAC name of 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one (CID 24886438) is 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one is COc1ccc(CNc2ccc3c(c2)OCC(=O)N3)cc1.
What is the InChIKey of 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The InChIKey is PKOGJFJMYISTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-20-13-5-2-11(3-6-13)9-17-12-4-7-14-15(8-12)21-10-16(19)18-14/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one has a molecular weight of 284.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 24886438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).