N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide

C17H22ClN3O2S — CID 133321245

IUPACN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCN(c2ccnc3cc(Cl)ccc23)CC1)S(C)(=O)=O
InChIInChI=1S/C17H22ClN3O2S/c1-3-21(24(2,22)23)14-7-10-20(11-8-14)17-6-9-19-16-12-13(18)4-5-15(16)17/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3
InChIKeySHWMTUDTFDNJLY-UHFFFAOYSA-N
MW367.90 g/mol
LogP3.14
Rot. Bonds4

About N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide (PubChem CID 133321245) has the molecular formula C17H22ClN3O2S and a molecular weight of 367.90 g/mol. Its IUPAC name is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
PubChem CID133321245
Molecular FormulaC17H22ClN3O2S
Molecular Weight367.90 g/mol
Exact Mass367.11
IUPAC NameN-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
SMILESCCN(C1CCN(c2ccnc3cc(Cl)ccc23)CC1)S(C)(=O)=O
InChIInChI=1S/C17H22ClN3O2S/c1-3-21(24(2,22)23)14-7-10-20(11-8-14)17-6-9-19-16-12-13(18)4-5-15(16)17/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3
InChIKeySHWMTUDTFDNJLY-UHFFFAOYSA-N
XLogP3.14
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.90
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]acetamide
CID 49431104
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
CID 133301044
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 71658756
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-(dipropylamino)ethanone
CID 134130907
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432

Frequently Asked Questions

What is the IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The IUPAC name of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide (CID 133321245) is N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide.
What is the SMILES notation for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The canonical SMILES for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide is CCN(C1CCN(c2ccnc3cc(Cl)ccc23)CC1)S(C)(=O)=O.
What is the InChIKey of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
The InChIKey is SHWMTUDTFDNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2S/c1-3-21(24(2,22)23)14-7-10-20(11-8-14)17-6-9-19-16-12-13(18)4-5-15(16)17/h4-6,9,12,14H,3,7-8,10-11H2,1-2H3.
What are the key properties of N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide?
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide has a molecular weight of 367.90 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide is sourced from PubChem (CID 133321245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).