6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one

C16H14N2O — CID 162429521

IUPAC6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2c(C)ccc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H14N2O/c1-10-3-6-12(7-4-10)14-11(2)5-8-13-15(14)16(19)18-9-17-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyDEDDJRKZHGWKKJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.21
Rot. Bonds1

About 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one

6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one (PubChem CID 162429521) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one
PubChem CID162429521
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one
SMILESCc1ccc(-c2c(C)ccc3nc[nH]c(=O)c23)cc1
InChIInChI=1S/C16H14N2O/c1-10-3-6-12(7-4-10)14-11(2)5-8-13-15(14)16(19)18-9-17-13/h3-9H,1-2H3,(H,17,18,19)
InChIKeyDEDDJRKZHGWKKJ-UHFFFAOYSA-N
XLogP3.21
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one?
The IUPAC name of 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one (CID 162429521) is 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one?
The canonical SMILES for 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one is Cc1ccc(-c2c(C)ccc3nc[nH]c(=O)c23)cc1.
What is the InChIKey of 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one?
The InChIKey is DEDDJRKZHGWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-3-6-12(7-4-10)14-11(2)5-8-13-15(14)16(19)18-9-17-13/h3-9H,1-2H3,(H,17,18,19).
What are the key properties of 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one?
6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(4-methylphenyl)-3H-quinazolin-4-one is sourced from PubChem (CID 162429521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).