3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one

C21H19N3O — CID 4235151

IUPAC3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(CN2C(=O)c3ccccc3NC2c2ccccn2)cc1
InChIInChI=1S/C21H19N3O/c1-15-9-11-16(12-10-15)14-24-20(19-8-4-5-13-22-19)23-18-7-3-2-6-17(18)21(24)25/h2-13,20,23H,14H2,1H3
InChIKeyINUWBBWLQIDWRJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.16
Rot. Bonds3

About 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one

3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 4235151) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID4235151
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(CN2C(=O)c3ccccc3NC2c2ccccn2)cc1
InChIInChI=1S/C21H19N3O/c1-15-9-11-16(12-10-15)14-24-20(19-8-4-5-13-22-19)23-18-7-3-2-6-17(18)21(24)25/h2-13,20,23H,14H2,1H3
InChIKeyINUWBBWLQIDWRJ-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (CID 4235151) is 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is Cc1ccc(CN2C(=O)c3ccccc3NC2c2ccccn2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is INUWBBWLQIDWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-15-9-11-16(12-10-15)14-24-20(19-8-4-5-13-22-19)23-18-7-3-2-6-17(18)21(24)25/h2-13,20,23H,14H2,1H3.
What are the key properties of 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 329.40 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4235151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).