6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide

C24H27N3O4S — CID 33075683

IUPAC6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2c1
InChIInChI=1S/C24H27N3O4S/c1-16-10-12-27(13-11-16)32(29,30)21-7-4-19(5-8-21)26-24(28)22-15-18-14-20(31-3)6-9-23(18)25-17(22)2/h4-9,14-16H,10-13H2,1-3H3,(H,26,28)
InChIKeyHOAOCHLYXLZCBW-UHFFFAOYSA-N
MW453.56 g/mol
LogP4.22
Rot. Bonds5

About 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide

6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide (PubChem CID 33075683) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
PubChem CID33075683
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2c1
InChIInChI=1S/C24H27N3O4S/c1-16-10-12-27(13-11-16)32(29,30)21-7-4-19(5-8-21)26-24(28)22-15-18-14-20(31-3)6-9-23(18)25-17(22)2/h4-9,14-16H,10-13H2,1-3H3,(H,26,28)
InChIKeyHOAOCHLYXLZCBW-UHFFFAOYSA-N
XLogP4.22
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]furan-3-carboxamide
CID 28536842
1-(6-methoxy-2-methylquinolin-3-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propan-1-one
CID 158717893
5-(azepan-1-ylsulfonyl)-N-(4-methoxyphenyl)-2-methylbenzamide
CID 53281671
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
CID 53142973
2-methoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methylsulfanylbenzamide
CID 1078880
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 71904717
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
2-bromo-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1186574
2-(2-methoxyethoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17355372

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide?
The IUPAC name of 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide (CID 33075683) is 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)cc2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide?
The InChIKey is HOAOCHLYXLZCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-16-10-12-27(13-11-16)32(29,30)21-7-4-19(5-8-21)26-24(28)22-15-18-14-20(31-3)6-9-23(18)25-17(22)2/h4-9,14-16H,10-13H2,1-3H3,(H,26,28).
What are the key properties of 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide?
6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]quinoline-3-carboxamide is sourced from PubChem (CID 33075683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).