2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide

C21H21N3O4S — CID 3929877

IUPAC2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O4S/c25-20-14-18(17-9-2-3-10-19(17)23-20)21(26)22-15-7-6-8-16(13-15)29(27,28)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,26)(H,23,25)
InChIKeyJUIBSBWHUCJARQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP2.95
Rot. Bonds4

About 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide

2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide (PubChem CID 3929877) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
PubChem CID3929877
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C21H21N3O4S/c25-20-14-18(17-9-2-3-10-19(17)23-20)21(26)22-15-7-6-8-16(13-15)29(27,28)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,26)(H,23,25)
InChIKeyJUIBSBWHUCJARQ-UHFFFAOYSA-N
XLogP2.95
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[4-(3,4-dihydro-1(2H)-quinolinylsulfonyl)phenyl]acetamide
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2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
4-(3,4-Dihydroquinolin-1(2h)-Ylcarbonyl)benzenesulfonamide
CID 91827503
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
N-(3-acetylphenyl)-2-[benzenesulfonyl(methyl)amino]acetamide
CID 892408
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
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N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide (CID 3929877) is 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide?
The InChIKey is JUIBSBWHUCJARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c25-20-14-18(17-9-2-3-10-19(17)23-20)21(26)22-15-7-6-8-16(13-15)29(27,28)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12H2,(H,22,26)(H,23,25).
What are the key properties of 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide?
2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-piperidin-1-ylsulfonylphenyl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 3929877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).