7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one

C17H17NO2 — CID 117001146

IUPAC7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one
SMILESCc1cc(C)cc(-c2ccc3c(c2)OCC(=O)N3C)c1
InChIInChI=1S/C17H17NO2/c1-11-6-12(2)8-14(7-11)13-4-5-15-16(9-13)20-10-17(19)18(15)3/h4-9H,10H2,1-3H3
InChIKeyMVSDZXYYGXUGPQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.33
Rot. Bonds1

About 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one

7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 117001146) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one
PubChem CID117001146
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one
SMILESCc1cc(C)cc(-c2ccc3c(c2)OCC(=O)N3C)c1
InChIInChI=1S/C17H17NO2/c1-11-6-12(2)8-14(7-11)13-4-5-15-16(9-13)20-10-17(19)18(15)3/h4-9H,10H2,1-3H3
InChIKeyMVSDZXYYGXUGPQ-UHFFFAOYSA-N
XLogP3.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one
CID 117001136
7-[4-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994811
7-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 59264598
7-[3-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994810
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
N-(diaminomethylidene)-4-methyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 10610532
4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one
CID 82230734
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
6-[4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-pyridinyl]-4-methyl-1,4-benzoxazin-3-one
CID 44722665
7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82212148

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one (CID 117001146) is 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one is Cc1cc(C)cc(-c2ccc3c(c2)OCC(=O)N3C)c1.
What is the InChIKey of 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is MVSDZXYYGXUGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-11-6-12(2)8-14(7-11)13-4-5-15-16(9-13)20-10-17(19)18(15)3/h4-9H,10H2,1-3H3.
What are the key properties of 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one?
7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 267.33 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 117001146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).