7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline

C17H17ClN4 — CID 133301044

IUPAC7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
SMILESClc1ccc2c(N3CCC(n4ccnc4)CC3)ccnc2c1
InChIInChI=1S/C17H17ClN4/c18-13-1-2-15-16(11-13)20-6-3-17(15)21-8-4-14(5-9-21)22-10-7-19-12-22/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyXSDKUWMWQUHMAM-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.93
Rot. Bonds2

About 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline

7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline (PubChem CID 133301044) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
PubChem CID133301044
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC Name7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline
SMILESClc1ccc2c(N3CCC(n4ccnc4)CC3)ccnc2c1
InChIInChI=1S/C17H17ClN4/c18-13-1-2-15-16(11-13)20-6-3-17(15)21-8-4-14(5-9-21)22-10-7-19-12-22/h1-3,6-7,10-12,14H,4-5,8-9H2
InChIKeyXSDKUWMWQUHMAM-UHFFFAOYSA-N
XLogP3.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.93
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
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
1-(7-chloroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673359
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-N-ethylmethanesulfonamide
CID 133321245
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
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
(3S,4S)-1-(7-chloroquinolin-4-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 155498947
(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
CID 56904897
7-chloro-4-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]quinoline
CID 133315656
7-chloro-4-(4-pentan-3-ylpiperazin-1-yl)quinoline;hydrochloride
CID 68858916
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
CID 63390489

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
The IUPAC name of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline (CID 133301044) is 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline.
What is the SMILES notation for 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
The canonical SMILES for 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline is Clc1ccc2c(N3CCC(n4ccnc4)CC3)ccnc2c1.
What is the InChIKey of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
The InChIKey is XSDKUWMWQUHMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c18-13-1-2-15-16(11-13)20-6-3-17(15)21-8-4-14(5-9-21)22-10-7-19-12-22/h1-3,6-7,10-12,14H,4-5,8-9H2.
What are the key properties of 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline?
7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline has a molecular weight of 312.80 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(4-imidazol-1-ylpiperidin-1-yl)quinoline is sourced from PubChem (CID 133301044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).