8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride

C20H21ClN2O2S — CID 162126753

IUPAC8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride
SMILESCl.O=S(=O)(c1cnc2c(C3CCCCC3)cccc2c1)c1ccccn1
InChIInChI=1S/C20H20N2O2S.ClH/c23-25(24,19-11-4-5-12-21-19)17-13-16-9-6-10-18(20(16)22-14-17)15-7-2-1-3-8-15;/h4-6,9-15H,1-3,7-8H2;1H
InChIKeyGLAUEDJEHBLNEC-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.93
Rot. Bonds3

About 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride

8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride (PubChem CID 162126753) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride.

Molecular Properties

Compound Name8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride
PubChem CID162126753
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC Name8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride
SMILESCl.O=S(=O)(c1cnc2c(C3CCCCC3)cccc2c1)c1ccccn1
InChIInChI=1S/C20H20N2O2S.ClH/c23-25(24,19-11-4-5-12-21-19)17-13-16-9-6-10-18(20(16)22-14-17)15-7-2-1-3-8-15;/h4-6,9-15H,1-3,7-8H2;1H
InChIKeyGLAUEDJEHBLNEC-UHFFFAOYSA-N
XLogP4.93
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-(1-(111C)methylpiperidin-4-yl)-3-pyridin-2-ylsulfonylquinoline
CID 72721841
3-pyridin-2-ylsulfonylquinolin-8-amine
CID 86706011
8-cyclopropylquinoline
CID 66823369
2-cyclohexylsulfonylpyridine
CID 22764697
2-tert-butyl-4-[3-(3-pyrrolidin-1-ylphenyl)sulfonylquinolin-8-yl]piperidine-1-carboxylic acid
CID 66853547
2-(benzenesulfonyl)-8-piperidin-4-ylquinoline;hydrochloride
CID 141221127
(3R)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404380
(3S)-1-[3-(benzenesulfonyl)quinolin-8-yl]piperidin-3-ol
CID 130404376
2-(3-cyclooctylnaphthalen-2-yl)pyridine
CID 102473918
8-(3-bromocycloheptyl)quinoline
CID 81221251
2-[3-(benzenesulfonyl)quinolin-8-yl]-1,3,4,4a,5,5a,6,7,8,9,9a,9b-dodecahydropyrido[4,3-b]indole
CID 68728197
cyclobutane;pyridine-2-sulfonamide
CID 175429056

Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride?
The IUPAC name of 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride (CID 162126753) is 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride.
What is the SMILES notation for 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride?
The canonical SMILES for 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride is Cl.O=S(=O)(c1cnc2c(C3CCCCC3)cccc2c1)c1ccccn1.
What is the InChIKey of 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride?
The InChIKey is GLAUEDJEHBLNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S.ClH/c23-25(24,19-11-4-5-12-21-19)17-13-16-9-6-10-18(20(16)22-14-17)15-7-2-1-3-8-15;/h4-6,9-15H,1-3,7-8H2;1H.
What are the key properties of 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride?
8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride has a molecular weight of 388.92 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-3-pyridin-2-ylsulfonylquinoline;hydrochloride is sourced from PubChem (CID 162126753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).