3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide

C21H24N4O2S — CID 55873879

IUPAC3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCc3ccnc(N4CCCCC4)c3)cccc2c1
InChIInChI=1S/C21H24N4O2S/c1-16-12-18-6-5-7-19(21(18)23-14-16)28(26,27)24-15-17-8-9-22-20(13-17)25-10-3-2-4-11-25/h5-9,12-14,24H,2-4,10-11,15H2,1H3
InChIKeyCSKJWHLRLRPMCV-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.41
Rot. Bonds5

About 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide

3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide (PubChem CID 55873879) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
PubChem CID55873879
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)NCc3ccnc(N4CCCCC4)c3)cccc2c1
InChIInChI=1S/C21H24N4O2S/c1-16-12-18-6-5-7-19(21(18)23-14-16)28(26,27)24-15-17-8-9-22-20(13-17)25-10-3-2-4-11-25/h5-9,12-14,24H,2-4,10-11,15H2,1H3
InChIKeyCSKJWHLRLRPMCV-UHFFFAOYSA-N
XLogP3.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
2,4-dimethyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 36583669
1,2-dimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]imidazole-4-sulfonamide
CID 47092488
2,4,6-trimethyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 55872466
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]quinoline-8-sulfonamide
CID 55816008
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
3-methyl-N-[2-(propan-2-ylamino)ethyl]quinoline-8-sulfonamide
CID 62663890
2-fluoro-4,5-dimethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 35323775
6-chloro-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 55874135
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-nitrobenzenesulfonamide
CID 55914387
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]quinoline-8-sulfonamide
CID 53498011
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide (CID 55873879) is 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)NCc3ccnc(N4CCCCC4)c3)cccc2c1.
What is the InChIKey of 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide?
The InChIKey is CSKJWHLRLRPMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-16-12-18-6-5-7-19(21(18)23-14-16)28(26,27)24-15-17-8-9-22-20(13-17)25-10-3-2-4-11-25/h5-9,12-14,24H,2-4,10-11,15H2,1H3.
What are the key properties of 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide?
3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide has a molecular weight of 396.52 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 55873879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).