6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one

C17H16ClNO2 — CID 23411083

IUPAC6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCc1ccccc1CN1C(=O)C(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-11-5-3-4-6-13(11)10-19-15-9-14(18)7-8-16(15)21-12(2)17(19)20/h3-9,12H,10H2,1-2H3
InChIKeyGNKNYEPPVGOOPI-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.96
Rot. Bonds2

About 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one

6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one (PubChem CID 23411083) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
PubChem CID23411083
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
SMILESCc1ccccc1CN1C(=O)C(C)Oc2ccc(Cl)cc21
InChIInChI=1S/C17H16ClNO2/c1-11-5-3-4-6-13(11)10-19-15-9-14(18)7-8-16(15)21-12(2)17(19)20/h3-9,12H,10H2,1-2H3
InChIKeyGNKNYEPPVGOOPI-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-methyl-4-[(2-methylphenyl)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-fluoro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 126475484
2-methyl-4-[(2-methylphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carbaldehyde
CID 82025240
6-chloro-4-[(4-chlorophenyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 23411018
4-[(4-tert-butylphenyl)methyl]-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 23411148
6-chloro-4-(3-hydroxypropyl)-2-methyl-1,4-benzoxazin-3-one
CID 3044533
4-[2-(azepan-1-yl)-2-oxoethyl]-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 23410599
2-(6-chloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2,6-diethylphenyl)acetamide
CID 23409166
4-(1-aminopropan-2-yl)-6-chloro-2-methyl-1,4-benzoxazin-3-one
CID 82143012
4-benzyl-2-methyl-3-oxo-1,4-benzoxazine-6-carboxylic acid
CID 82057901
4-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-1,4-benzoxazin-3-one
CID 106994088
(2R)-4-[(4-fluorophenyl)methyl]-2,6-dimethyl-1,4-benzoxazin-3-one
CID 1431564
(2R)-2-methyl-4-[(4-methylphenyl)methyl]-1,4-benzoxazin-3-one
CID 1431675

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The IUPAC name of 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one (CID 23411083) is 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one is Cc1ccccc1CN1C(=O)C(C)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
The InChIKey is GNKNYEPPVGOOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-11-5-3-4-6-13(11)10-19-15-9-14(18)7-8-16(15)21-12(2)17(19)20/h3-9,12H,10H2,1-2H3.
What are the key properties of 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one?
6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one has a molecular weight of 301.77 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[(2-methylphenyl)methyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 23411083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).