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

C21H17N3O — CID 716780

IUPAC2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1
InChIInChI=1S/C21H17N3O/c1-14-7-9-16(10-8-14)20-23-18-6-4-3-5-17(18)21(25)24(20)19-13-15(2)11-12-22-19/h3-13H,1-2H3
InChIKeyICHWMYZYOBOOGZ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.06
Rot. Bonds2

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

2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 716780) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID716780
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1
InChIInChI=1S/C21H17N3O/c1-14-7-9-16(10-8-14)20-23-18-6-4-3-5-17(18)21(25)24(20)19-13-15(2)11-12-22-19/h3-13H,1-2H3
InChIKeyICHWMYZYOBOOGZ-UHFFFAOYSA-N
XLogP4.06
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
CID 829438
2-[(1R)-1-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]propyl]isoindole-1,3-dione
CID 94589125
3-(3-hydroxyphenyl)-2-(4-methylphenyl)quinazolin-4-one
CID 717898
3-[3,5-bis(4-oxo-2-phenylquinazolin-3-yl)phenyl]-2-phenylquinazolin-4-one
CID 121247436
ethane;2-(3-methylphenyl)-3-phenylquinazolin-4-one
CID 142888475
2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 16601141
2-(4-phenylphenyl)-3-pyridin-4-ylquinazolin-4-one
CID 1047183
tert-butyl 2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 40571999
3-(4-methyl-2-pyridinyl)-2-(2-oxooxolan-3-yl)sulfanylquinazolin-4-one
CID 42884625
3-(4-methyl-2-pyridinyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
CID 17404456
N-(2-chloro-4-methylphenyl)-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 112783686
(2S)-N-carbamoyl-2-[3-(4-methyl-2-pyridinyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 40572030

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one (CID 716780) is 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is ICHWMYZYOBOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-7-9-16(10-8-14)20-23-18-6-4-3-5-17(18)21(25)24(20)19-13-15(2)11-12-22-19/h3-13H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one?
2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 327.39 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(4-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 716780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).