N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide

C21H24N4O2S — CID 45178644

IUPACN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1CCCN(Cc2ccncc2)C1)c1cccc2cccnc12
InChIInChI=1S/C21H24N4O2S/c26-28(27,20-7-1-5-19-6-2-10-23-21(19)20)24-14-18-4-3-13-25(16-18)15-17-8-11-22-12-9-17/h1-2,5-12,18,24H,3-4,13-16H2
InChIKeyPNGHWEKBIQHXTL-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.82
Rot. Bonds6

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

N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide (PubChem CID 45178644) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
PubChem CID45178644
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC NameN-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
SMILESO=S(=O)(NCC1CCCN(Cc2ccncc2)C1)c1cccc2cccnc12
InChIInChI=1S/C21H24N4O2S/c26-28(27,20-7-1-5-19-6-2-10-23-21(19)20)24-14-18-4-3-13-25(16-18)15-17-8-11-22-12-9-17/h1-2,5-12,18,24H,3-4,13-16H2
InChIKeyPNGHWEKBIQHXTL-UHFFFAOYSA-N
XLogP2.82
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-1-[(2-hydroxyphenyl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42514082
N-[[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 42193690
N-[[1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 45210111
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide
CID 72878212
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]cyclopropanamine
CID 62582223
N-[[(3R)-1-[(8-methylquinolin-5-yl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95218558
8-[[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]methylsulfonyl]quinoline
CID 162034784
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 54794504
N-cycloheptyl-4-[(quinolin-8-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 20880566
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
CID 72717929

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The IUPAC name of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide (CID 45178644) is N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide is O=S(=O)(NCC1CCCN(Cc2ccncc2)C1)c1cccc2cccnc12.
What is the InChIKey of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
The InChIKey is PNGHWEKBIQHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c26-28(27,20-7-1-5-19-6-2-10-23-21(19)20)24-14-18-4-3-13-25(16-18)15-17-8-11-22-12-9-17/h1-2,5-12,18,24H,3-4,13-16H2.
What are the key properties of N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide?
N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide has a molecular weight of 396.52 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 45178644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).