3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline

C18H23ClN4 — CID 166485216

IUPAC3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
SMILESClc1cc2cc(N3CCCCC3)ccc2nc1N1CCNCC1
InChIInChI=1S/C18H23ClN4/c19-16-13-14-12-15(22-8-2-1-3-9-22)4-5-17(14)21-18(16)23-10-6-20-7-11-23/h4-5,12-13,20H,1-3,6-11H2
InChIKeyRWBXXNKQWPGTJJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.29
Rot. Bonds2

About 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline

3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline (PubChem CID 166485216) has the molecular formula C18H23ClN4 and a molecular weight of 330.86 g/mol. Its IUPAC name is 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline.

Molecular Properties

Compound Name3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
PubChem CID166485216
Molecular FormulaC18H23ClN4
Molecular Weight330.86 g/mol
Exact Mass330.16
IUPAC Name3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
SMILESClc1cc2cc(N3CCCCC3)ccc2nc1N1CCNCC1
InChIInChI=1S/C18H23ClN4/c19-16-13-14-12-15(22-8-2-1-3-9-22)4-5-17(14)21-18(16)23-10-6-20-7-11-23/h4-5,12-13,20H,1-3,6-11H2
InChIKeyRWBXXNKQWPGTJJ-UHFFFAOYSA-N
XLogP3.29
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
CID 166485583
[1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 171851681
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
CID 166485264
6-(1,4-diazepan-1-yl)quinoline
CID 62635992
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 166485547
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
(Z)-1-(2-chloro-4-piperazin-1-ylphenyl)-N-[(Z)-(2-chloro-4-piperazin-1-ylphenyl)methylideneamino]methanimine
CID 6443541
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline?
The IUPAC name of 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline (CID 166485216) is 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline.
What is the SMILES notation for 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline?
The canonical SMILES for 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline is Clc1cc2cc(N3CCCCC3)ccc2nc1N1CCNCC1.
What is the InChIKey of 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline?
The InChIKey is RWBXXNKQWPGTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4/c19-16-13-14-12-15(22-8-2-1-3-9-22)4-5-17(14)21-18(16)23-10-6-20-7-11-23/h4-5,12-13,20H,1-3,6-11H2.
What are the key properties of 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline?
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline has a molecular weight of 330.86 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline is sourced from PubChem (CID 166485216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).