3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one

C16H15N3O — CID 123577272

IUPAC3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccc2nc(-c3cccc(C)n3)n(C)c(=O)c2c1
InChIInChI=1S/C16H15N3O/c1-10-7-8-13-12(9-10)16(20)19(3)15(18-13)14-6-4-5-11(2)17-14/h4-9H,1-3H3
InChIKeyJTCVFPHOPZRBMH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.61
Rot. Bonds1

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

3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one (PubChem CID 123577272) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one.

Molecular Properties

Compound Name3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one
PubChem CID123577272
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one
SMILESCc1ccc2nc(-c3cccc(C)n3)n(C)c(=O)c2c1
InChIInChI=1S/C16H15N3O/c1-10-7-8-13-12(9-10)16(20)19(3)15(18-13)14-6-4-5-11(2)17-14/h4-9H,1-3H3
InChIKeyJTCVFPHOPZRBMH-UHFFFAOYSA-N
XLogP2.61
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,6-dimethylquinazolin-4-one;ethane
CID 155705578
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole
CID 71344812
N-(3,6-dimethyl-4-oxoquinazolin-2-yl)-2,2-dimethylpropanamide
CID 14585474
3,6-dimethyl-1,2,3-benzotriazin-4-one
CID 122431911
[3-methyl-2-(6-methyl-2-pyridinyl)benzimidazol-5-yl]methanamine
CID 104712925
3,6-dimethyl-2-[4-(3-methyloxiran-2-yl)oxyphenyl]quinazolin-4-one
CID 20504706
2-(3-hydroxypropylsulfanyl)-3,6-dimethylquinazolin-4-one
CID 111127184
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
3-methyl-2-(6-methylquinazolin-4-yl)sulfanylquinazolin-4-one
CID 133427777
N-(2,6-dimethyl-4-oxoquinazolin-3-yl)acetamide
CID 15915184
ethane;2,3,7-trimethylquinazolin-4-one
CID 177158450
6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
CID 163260233

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one?
The IUPAC name of 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one (CID 123577272) is 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one.
What is the SMILES notation for 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one?
The canonical SMILES for 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one is Cc1ccc2nc(-c3cccc(C)n3)n(C)c(=O)c2c1.
What is the InChIKey of 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one?
The InChIKey is JTCVFPHOPZRBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-7-8-13-12(9-10)16(20)19(3)15(18-13)14-6-4-5-11(2)17-14/h4-9H,1-3H3.
What are the key properties of 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one?
3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one has a molecular weight of 265.32 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-(6-methyl-2-pyridinyl)quinazolin-4-one is sourced from PubChem (CID 123577272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).