1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide

C18H16N2O2S — CID 30131737

IUPAC1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
SMILESCSc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1
InChIInChI=1S/C18H16N2O2S/c1-20-11-15(17(21)14-8-3-4-9-16(14)20)18(22)19-12-6-5-7-13(10-12)23-2/h3-11H,1-2H3,(H,19,22)
InChIKeyOMWCSSKUUKOLBW-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.51
Rot. Bonds3

About 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide

1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide (PubChem CID 30131737) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
PubChem CID30131737
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
SMILESCSc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1
InChIInChI=1S/C18H16N2O2S/c1-20-11-15(17(21)14-8-3-4-9-16(14)20)18(22)19-12-6-5-7-13(10-12)23-2/h3-11H,1-2H3,(H,19,22)
InChIKeyOMWCSSKUUKOLBW-UHFFFAOYSA-N
XLogP3.51
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
CID 51053502
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
2-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 836481
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947373
1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 57402392
1-methyl-4-oxo-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 57400586
5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947367
2-bromo-5-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 80959344
N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831943
2,4-difluoro-N-(3-methylsulfanylphenyl)benzamide
CID 4802933
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide (CID 30131737) is 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide is CSc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1.
What is the InChIKey of 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is OMWCSSKUUKOLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-20-11-15(17(21)14-8-3-4-9-16(14)20)18(22)19-12-6-5-7-13(10-12)23-2/h3-11H,1-2H3,(H,19,22).
What are the key properties of 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide?
1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30131737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).