8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline

C20H21N3O2S — CID 72721841

IUPAC8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
SMILES[11CH3]N1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1
InChIInChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3/i1-1
InChIKeyCNJLQPMEVJPMIO-BJUDXGSMSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds3

About 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline

8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline (PubChem CID 72721841) has the molecular formula C20H21N3O2S and a molecular weight of 366.47 g/mol. Its IUPAC name is 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline.

Molecular Properties

Compound Name8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
PubChem CID72721841
Molecular FormulaC20H21N3O2S
Molecular Weight366.47 g/mol
Exact Mass366.15
IUPAC Name8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
SMILES[11CH3]N1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1
InChIInChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3/i1-1
InChIKeyCNJLQPMEVJPMIO-BJUDXGSMSA-N
XLogP3.27
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride
CID 162126753
3-pyridin-2-ylsulfonylquinolin-8-amine
CID 86706011
2-tert-butyl-4-[3-(3-pyrrolidin-1-ylphenyl)sulfonylquinolin-8-yl]piperidine-1-carboxylic acid
CID 66853547
5-methyl-N-(1-methylpiperidin-4-yl)-2-quinolin-3-ylsulfonylpyridin-4-amine
CID 53302558
8-cyclopropylquinoline
CID 66823369
1-ethyl-4-pyridin-2-ylpiperazine;1-methyl-4-naphthalen-1-ylpiperidine
CID 153403451
N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]quinoline-8-sulfonamide
CID 10295665
(3R)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404380
(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404376
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720
3-(benzenesulfonyl)-8-(2-methylpiperazin-1-yl)quinoline
CID 10172487
5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide
CID 175838933

Frequently Asked Questions

What is the IUPAC name of 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
The IUPAC name of 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline (CID 72721841) is 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline.
What is the SMILES notation for 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
The canonical SMILES for 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline is [11CH3]N1CCC(c2cccc3cc(S(=O)(=O)c4ccccn4)cnc23)CC1.
What is the InChIKey of 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
The InChIKey is CNJLQPMEVJPMIO-BJUDXGSMSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-23-11-8-15(9-12-23)18-6-4-5-16-13-17(14-22-20(16)18)26(24,25)19-7-2-3-10-21-19/h2-7,10,13-15H,8-9,11-12H2,1H3/i1-1.
What are the key properties of 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline?
8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline has a molecular weight of 366.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline is sourced from PubChem (CID 72721841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).