4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one

C16H15NO2 — CID 117001136

IUPAC4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one
SMILESCc1cccc(-c2ccc3c(c2)OCC(=O)N3C)c1
InChIInChI=1S/C16H15NO2/c1-11-4-3-5-12(8-11)13-6-7-14-15(9-13)19-10-16(18)17(14)2/h3-9H,10H2,1-2H3
InChIKeyQMJBIIUTVKBMKR-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.02
Rot. Bonds1

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

4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one (PubChem CID 117001136) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one
PubChem CID117001136
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one
SMILESCc1cccc(-c2ccc3c(c2)OCC(=O)N3C)c1
InChIInChI=1S/C16H15NO2/c1-11-4-3-5-12(8-11)13-6-7-14-15(9-13)19-10-16(18)17(14)2/h3-9H,10H2,1-2H3
InChIKeyQMJBIIUTVKBMKR-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(3,5-dimethylphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001146
7-[3-(aminomethyl)phenyl]-4-methyl-1,4-benzoxazin-3-one
CID 116994810
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
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
4-methyl-7-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 116994835
6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
4-methyl-7-[(E)-3-phenylprop-2-enoyl]-1,4-benzoxazin-3-one
CID 6449466
7-(benzylamino)-4-methyl-1,4-benzoxazin-3-one
CID 82212148
N-(diaminomethylidene)-4-methyl-3-oxo-1,4-benzoxazine-7-carboxamide
CID 10610532
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
4-methyl-6,7,8,9-tetrahydrobenzo[g][1,4]benzoxazin-3-one
CID 82230734

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one?
The IUPAC name of 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one (CID 117001136) is 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one is Cc1cccc(-c2ccc3c(c2)OCC(=O)N3C)c1.
What is the InChIKey of 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one?
The InChIKey is QMJBIIUTVKBMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-11-4-3-5-12(8-11)13-6-7-14-15(9-13)19-10-16(18)17(14)2/h3-9H,10H2,1-2H3.
What are the key properties of 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one?
4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-(3-methylphenyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 117001136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).