2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one

C21H17N3O — CID 829438

IUPAC2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)n2)cc1
InChIInChI=1S/C21H17N3O/c1-14-10-12-16(13-11-14)20-23-18-8-4-3-7-17(18)21(25)24(20)19-9-5-6-15(2)22-19/h3-13H,1-2H3
InChIKeyVZSSVRAQYMTPHQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.06
Rot. Bonds2

About 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one

2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 829438) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID829438
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)n2)cc1
InChIInChI=1S/C21H17N3O/c1-14-10-12-16(13-11-14)20-23-18-8-4-3-7-17(18)21(25)24(20)19-9-5-6-15(2)22-19/h3-13H,1-2H3
InChIKeyVZSSVRAQYMTPHQ-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

Vx-702
CID 10341154
3-phenyl-2-[(E)-2-pyridin-2-ylethenyl]quinazolin-4-one
CID 5742213
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
Src-820 R
CID 63120
3-(2-methylphenyl)-2-(2-(2-pyridinyl)ethenyl)-4(3H)-quinazolinone
CID 63114
((E)-3-benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4-(3H)-one)
CID 5738263
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
2,3-Dihydro-3-(6-methyl-2-pyridinyl)-2-thioxo-4(1H)-quinazolinone
CID 2561763
1,3-Dimethyl-1,2,3,4-tetrahydropyrimido[4,5-b]quinoline-2,4-dione
CID 2785858
N-(2-quinolinyl)benzamide
CID 2812454
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
Piricualona
CID 6015423

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one (CID 829438) is 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one is Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cccc(C)n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is VZSSVRAQYMTPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-14-10-12-16(13-11-14)20-23-18-8-4-3-7-17(18)21(25)24(20)19-9-5-6-15(2)22-19/h3-13H,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(6-methyl-2-pyridinyl)quinazolin-4-one?
2-(4-methylphenyl)-3-(6-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-(6-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 829438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).