8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one

C15H13N3OS — CID 155818515

IUPAC8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CSc3ccncc3)nc12
InChIInChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeySLMCMRWSQKTOEX-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.92
Rot. Bonds3

About 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one

8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one (PubChem CID 155818515) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one
PubChem CID155818515
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CSc3ccncc3)nc12
InChIInChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeySLMCMRWSQKTOEX-UHFFFAOYSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 135400184
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CID 135409535
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CID 135412668
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CID 135566723
CID 135566723
CID 135453938
CID 135453938
CID 2106365
CID 2106365
CID 135410337
CID 135410337
CID 135495510
CID 135495510
CID 1094076
CID 1094076
CID 135548602
CID 135548602
CID 9997962
CID 9997962
CID 10340669
CID 10340669

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one (CID 155818515) is 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(CSc3ccncc3)nc12.
What is the InChIKey of 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
The InChIKey is SLMCMRWSQKTOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-3-2-4-12-14(10)17-13(18-15(12)19)9-20-11-5-7-16-8-6-11/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one?
8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one has a molecular weight of 283.36 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(pyridin-4-ylsulfanylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 155818515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).