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

C16H14N2O — CID 91126361

IUPAC5-methyl-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1cnc2cccc(C)c2c1=O
InChIInChI=1S/C16H14N2O/c1-11-6-3-4-9-14(11)18-10-17-13-8-5-7-12(2)15(13)16(18)19/h3-10H,1-2H3
InChIKeyIXTPRKSNCQNTFI-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.00
Rot. Bonds1

About 5-methyl-3-(2-methylphenyl)quinazolin-4-one

5-methyl-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 91126361) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methyl-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name5-methyl-3-(2-methylphenyl)quinazolin-4-one
PubChem CID91126361
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name5-methyl-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1cnc2cccc(C)c2c1=O
InChIInChI=1S/C16H14N2O/c1-11-6-3-4-9-14(11)18-10-17-13-8-5-7-12(2)15(13)16(18)19/h3-10H,1-2H3
InChIKeyIXTPRKSNCQNTFI-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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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 5-methyl-3-(2-methylphenyl)quinazolin-4-one (CID 91126361) is 5-methyl-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 5-methyl-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 5-methyl-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1cnc2cccc(C)c2c1=O.
What is the InChIKey of 5-methyl-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is IXTPRKSNCQNTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-6-3-4-9-14(11)18-10-17-13-8-5-7-12(2)15(13)16(18)19/h3-10H,1-2H3.
What are the key properties of 5-methyl-3-(2-methylphenyl)quinazolin-4-one?
5-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 5-methyl-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 91126361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).