2-methyl-3-(2-methylbenzoyl)quinazolin-4-one

C17H14N2O2 — CID 69343372

IUPAC2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
SMILESCc1ccccc1C(=O)n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-11-7-3-4-8-13(11)16(20)19-12(2)18-15-10-6-5-9-14(15)17(19)21/h3-10H,1-2H3
InChIKeyBWERJVUEYLVWGF-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.70
Rot. Bonds1

About 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one

2-methyl-3-(2-methylbenzoyl)quinazolin-4-one (PubChem CID 69343372) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
PubChem CID69343372
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
SMILESCc1ccccc1C(=O)n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H14N2O2/c1-11-7-3-4-8-13(11)16(20)19-12(2)18-15-10-6-5-9-14(15)17(19)21/h3-10H,1-2H3
InChIKeyBWERJVUEYLVWGF-UHFFFAOYSA-N
XLogP2.70
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131876705
CID 131876705
2-amino-N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 4778135
2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
CID 849797
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
ethyl (1E)-N-(2-methyl-4-oxoquinazolin-3-yl)ethanimidate
CID 13409713
(2-bromophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791448
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
3-(4-hydroxy-2-methylphenyl)-2-methylquinazolin-4-one
CID 21143
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
N-[2-(4-bromophenyl)-4-oxoquinazolin-3-yl]-2-methylbenzamide
CID 23877246

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one (CID 69343372) is 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one is Cc1ccccc1C(=O)n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one?
The InChIKey is BWERJVUEYLVWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11-7-3-4-8-13(11)16(20)19-12(2)18-15-10-6-5-9-14(15)17(19)21/h3-10H,1-2H3.
What are the key properties of 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one?
2-methyl-3-(2-methylbenzoyl)quinazolin-4-one has a molecular weight of 278.31 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylbenzoyl)quinazolin-4-one is sourced from PubChem (CID 69343372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).