8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one

C16H14N2OS — CID 155551927

IUPAC8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one
SMILESCSc1cccc(-n2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C16H14N2OS/c1-11-5-3-8-14-15(11)17-10-18(16(14)19)12-6-4-7-13(9-12)20-2/h3-10H,1-2H3
InChIKeyDGXOTXISNFCGIM-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.42
Rot. Bonds2

About 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one

8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one (PubChem CID 155551927) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one
PubChem CID155551927
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one
SMILESCSc1cccc(-n2cnc3c(C)cccc3c2=O)c1
InChIInChI=1S/C16H14N2OS/c1-11-5-3-8-14-15(11)17-10-18(16(14)19)12-6-4-7-13(9-12)20-2/h3-10H,1-2H3
InChIKeyDGXOTXISNFCGIM-UHFFFAOYSA-N
XLogP3.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one?
The IUPAC name of 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one (CID 155551927) is 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one?
The canonical SMILES for 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one is CSc1cccc(-n2cnc3c(C)cccc3c2=O)c1.
What is the InChIKey of 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one?
The InChIKey is DGXOTXISNFCGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11-5-3-8-14-15(11)17-10-18(16(14)19)12-6-4-7-13(9-12)20-2/h3-10H,1-2H3.
What are the key properties of 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one?
8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one has a molecular weight of 282.37 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3-methylsulfanylphenyl)quinazolin-4-one is sourced from PubChem (CID 155551927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).