4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide

C17H18N4O3S — CID 150676898

IUPAC4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccnn1C)c(=O)n2C
InChIInChI=1S/C17H18N4O3S/c1-19-12-6-5-10(25-4)9-11(12)15(22)14(16(19)23)17(24)20(2)13-7-8-18-21(13)3/h5-9,22H,1-4H3
InChIKeyJHBQTVZUQOBLOH-UHFFFAOYSA-N
MW358.42 g/mol
LogP1.98
Rot. Bonds3

About 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide

4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide (PubChem CID 150676898) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
PubChem CID150676898
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
SMILESCSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccnn1C)c(=O)n2C
InChIInChI=1S/C17H18N4O3S/c1-19-12-6-5-10(25-4)9-11(12)15(22)14(16(19)23)17(24)20(2)13-7-8-18-21(13)3/h5-9,22H,1-4H3
InChIKeyJHBQTVZUQOBLOH-UHFFFAOYSA-N
XLogP1.98
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-4-hydroxy-N,1-dimethyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54728929
4-hydroxy-N-methyl-6-methylsulfanyl-2-oxo-N-phenyl-1-propylquinoline-3-carboxamide
CID 54726174
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-propoxyethyl)quinoline-3-carboxamide
CID 139664827
N-(2-fluorophenyl)-4-hydroxy-1-methyl-6-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 123856404
4-hydroxy-1-methyl-6-methylsulfanyl-2-oxo-N-phenyl-N-(2-phenylmethoxyethyl)quinoline-3-carboxamide
CID 139664822
11-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]sulfanylundecanoic acid
CID 139667726
4-hydroxy-N-(2-methoxyethyl)-1-methyl-6-methylsulfanyl-2-oxo-N-phenylquinoline-3-carbothioamide
CID 139664833
ethyl N-[4-hydroxy-1-methyl-3-[methyl(phenyl)carbamoyl]-2-oxoquinolin-6-yl]carbamate
CID 139667758
3-(2,2-dichloroacetyl)-6-fluoro-4-hydroxy-1-methylquinolin-2-one
CID 110273241
3-(2,2-dichloroacetyl)-4-hydroxy-1,6-dimethylquinolin-2-one
CID 110273245
4-hydroxy-N-(4-methoxyphenyl)-N,1-dimethyl-5-methylsulfanyl-2-oxoquinoline-3-carboxamide
CID 54721949
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide (CID 150676898) is 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide is CSc1ccc2c(c1)c(O)c(C(=O)N(C)c1ccnn1C)c(=O)n2C.
What is the InChIKey of 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
The InChIKey is JHBQTVZUQOBLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-19-12-6-5-10(25-4)9-11(12)15(22)14(16(19)23)17(24)20(2)13-7-8-18-21(13)3/h5-9,22H,1-4H3.
What are the key properties of 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide?
4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,1-dimethyl-N-(2-methylpyrazol-3-yl)-6-methylsulfanyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 150676898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).