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

C16H15N3OS — CID 135516742

IUPAC6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCCc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyOWOBVOVYNUJDKU-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.34
Rot. Bonds3

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

6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one (PubChem CID 135516742) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
PubChem CID135516742
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one
SMILESCCc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1
InChIInChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20)
InChIKeyOWOBVOVYNUJDKU-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nolatrexed
CID 135400184
Nolatrexed Dihydrochloride
CID 135409535
8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
CID 155818515
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-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (6-pyridin-3-yl-hexyl)-amide
CID 13557454
2-Isopropyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557460
2-Methyl-11-oxo-11H-pyrido[2,1-b]quinazoline-8-carboxylic acid (4-pyridin-3-yl-butyl)-amide
CID 13557472
2,6-Dimethyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one
CID 135453938
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 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The IUPAC name of 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one (CID 135516742) is 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one.
What is the SMILES notation for 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The canonical SMILES for 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one is CCc1ccc2nc(C)[nH]c(=O)c2c1Sc1ccncc1.
What is the InChIKey of 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
The InChIKey is OWOBVOVYNUJDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-11-4-5-13-14(16(20)19-10(2)18-13)15(11)21-12-6-8-17-9-7-12/h4-9H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one?
6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-5-pyridin-4-ylsulfanyl-3H-quinazolin-4-one is sourced from PubChem (CID 135516742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).