2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one

C15H13N3OS — CID 135474272

IUPAC2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(C)c(Sc3cccnc3)c2c(=O)[nH]1
InChIInChI=1S/C15H13N3OS/c1-9-5-6-12-13(15(19)18-10(2)17-12)14(9)20-11-4-3-7-16-8-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyRCAWALPJNVXMEF-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.09
Rot. Bonds2

About 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one

2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 135474272) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one
PubChem CID135474272
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one
SMILESCc1nc2ccc(C)c(Sc3cccnc3)c2c(=O)[nH]1
InChIInChI=1S/C15H13N3OS/c1-9-5-6-12-13(15(19)18-10(2)17-12)14(9)20-11-4-3-7-16-8-11/h3-8H,1-2H3,(H,17,18,19)
InChIKeyRCAWALPJNVXMEF-UHFFFAOYSA-N
XLogP3.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nolatrexed
CID 135400184
Nolatrexed Dihydrochloride
CID 135409535
2-(Pyridin-4-yl)quinazolin-4-ol
CID 135412668
2,6-Dimethyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135453938
8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
CID 155818515
2,6-Dimethyl-5-(2-methyl-pyridin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135410337
2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135495510
2-(4-Acetyl-phenylamino)-pyrido[3,2-e][1,3]thiazin-4-one
CID 1094076
2-Methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557472
2-[(2-pyridinylthio)methyl]-1H-quinazolin-4-one
CID 135460545
2-Methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135492362
Bas 09531330
CID 973891

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one (CID 135474272) is 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one is Cc1nc2ccc(C)c(Sc3cccnc3)c2c(=O)[nH]1.
What is the InChIKey of 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is RCAWALPJNVXMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-5-6-12-13(15(19)18-10(2)17-12)14(9)20-11-4-3-7-16-8-11/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one?
2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 283.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5-pyridin-3-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135474272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).