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

C16H14N2O — CID 6292

IUPAC2-methyl-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
InChIKeyJEYCTXHKTXCGPB-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.00
Rot. Bonds1

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

2-methyl-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 6292) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)quinazolin-4-one
PubChem CID6292
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-methyl-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3
InChIKeyJEYCTXHKTXCGPB-UHFFFAOYSA-N
XLogP3.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tryptanthrin
CID 73549
Afloqualone
CID 2040
Mecloqualone
CID 9567
2-Methyl-4(3H)-quinazolinone
CID 135400457
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
7,8,9,10-Tetrahydroazepino(2,1-b)quinazolin-12(6H)-one
CID 78144
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
2-Phenyl-4(3H)-Quinazolinone
CID 135400456
Deoxyvasicinone
CID 68261
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
4(3H)-Quinazolinone, 3-(2,4-dichlorophenyl)-2-methyl-
CID 63203
ME0328
CID 135566764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(2-methylphenyl)quinazolin-4-one (CID 6292) is 2-methyl-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is JEYCTXHKTXCGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-7-3-6-10-15(11)18-12(2)17-14-9-5-4-8-13(14)16(18)19/h3-10H,1-2H3.
What are the key properties of 2-methyl-3-(2-methylphenyl)quinazolin-4-one?
2-methyl-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 6292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).