7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one

C16H16N2O2 — CID 82212135

IUPAC7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCc1ccccc1CNc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C16H16N2O2/c1-11-4-2-3-5-12(11)9-17-13-6-7-14-15(8-13)20-10-16(19)18-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyJWOUJTOOPDKTTQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.94
Rot. Bonds3

About 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one

7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one (PubChem CID 82212135) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
PubChem CID82212135
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
SMILESCc1ccccc1CNc1ccc2c(c1)OCC(=O)N2
InChIInChI=1S/C16H16N2O2/c1-11-4-2-3-5-12(11)9-17-13-6-7-14-15(8-13)20-10-16(19)18-14/h2-8,17H,9-10H2,1H3,(H,18,19)
InChIKeyJWOUJTOOPDKTTQ-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 28651570
6-[(2-ethylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 62390858
7-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]-4H-1,4-benzoxazin-3-one
CID 75518165
1-(2-methylphenyl)-N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]methanesulfonamide
CID 110738581
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-(1H-pyrazol-5-ylmethylamino)-4H-1,4-benzoxazin-3-one
CID 75521753
7-[(4-methoxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 24886438
2-(2-nitrophenyl)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 110493138
1-[1-(2-methylphenyl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893226
6-[(3-fluoro-2-hydroxyphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 115950997
6-[1-chloro-2-(2-methylphenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 61086253

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one (CID 82212135) is 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one is Cc1ccccc1CNc1ccc2c(c1)OCC(=O)N2.
What is the InChIKey of 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
The InChIKey is JWOUJTOOPDKTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-4-2-3-5-12(11)9-17-13-6-7-14-15(8-13)20-10-16(19)18-14/h2-8,17H,9-10H2,1H3,(H,18,19).
What are the key properties of 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one?
7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one has a molecular weight of 268.32 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylphenyl)methylamino]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 82212135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).