6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one

C15H13N3O2S — CID 135524511

IUPAC6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C15H13N3O2S/c1-9-17-11-3-4-12(20-2)14(13(11)15(19)18-9)21-10-5-7-16-8-6-10/h3-8H,1-2H3,(H,17,18,19)
InChIKeyIDCGBCGEKKOBFY-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.79
Rot. Bonds3

About 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one

6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 135524511) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
PubChem CID135524511
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCOc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C15H13N3O2S/c1-9-17-11-3-4-12(20-2)14(13(11)15(19)18-9)21-10-5-7-16-8-6-10/h3-8H,1-2H3,(H,17,18,19)
InChIKeyIDCGBCGEKKOBFY-UHFFFAOYSA-N
XLogP2.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one with MolForge

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Related Compounds

2-Methoxy-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557473
5-(2-Methoxy-pyridin-4-ylsulfanyl)-2,6-dimethyl-3H-quinazolin-4-one
CID 135444566
6-Hydroxy-2-methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135412767
2-{[6-(acetylamino)-3-pyridinyl]sulfanyl}-N-(4-methoxyphenyl)benzenecarboxamide
CID 1490637
S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-6-methoxy-phenyl] pyridine-3-carbothioate
CID 3013490
2-amino-N-(2-methoxyphenyl)-6-(4-pyridylsulfanyl)benzamide
CID 155516174
Bas 07779004
CID 941565
2-[[6-(3,5-difluorophenyl)-3-pyridinyl]methyl]-6-methoxy-7-methylsulfonyl-3H-quinazolin-4-one
CID 177768155
2-[[6-(3,5-difluorophenyl)-3-pyridinyl]methyl]-6-methoxy-7-(methylsulfonimidoyl)-3H-quinazolin-4-one
CID 177768258
2-[[6-(3,5-difluorophenyl)-3-pyridinyl]methyl]-6-methoxy-7-methylsulfanyl-3H-quinazolin-4-one
CID 177768961
7-fluoro-6-methoxy-2-(4-methylsulfanyl-2-pyridinyl)-3H-quinazolin-4-one
CID 136272853
Sdccgsbi-0663206.P001
CID 171922167

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one (CID 135524511) is 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one is COc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1.
What is the InChIKey of 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is IDCGBCGEKKOBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-9-17-11-3-4-12(20-2)14(13(11)15(19)18-9)21-10-5-7-16-8-6-10/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 299.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135524511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).