3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride

C18H26Cl3N5 — CID 166485276

IUPAC3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
SMILESCl.Cl.Clc1cc2cc(NC3CCNCC3)ccc2nc1N1CCNCC1
InChIInChI=1S/C18H24ClN5.2ClH/c19-16-12-13-11-15(22-14-3-5-20-6-4-14)1-2-17(13)23-18(16)24-9-7-21-8-10-24;;/h1-2,11-12,14,20-22H,3-10H2;2*1H
InChIKeyJMRLRNSWAFKSTA-UHFFFAOYSA-N
MW418.80 g/mol
LogP3.31
Rot. Bonds3

About 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride

3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride (PubChem CID 166485276) has the molecular formula C18H26Cl3N5 and a molecular weight of 418.80 g/mol. Its IUPAC name is 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride.

Molecular Properties

Compound Name3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
PubChem CID166485276
Molecular FormulaC18H26Cl3N5
Molecular Weight418.80 g/mol
Exact Mass417.13
IUPAC Name3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
SMILESCl.Cl.Clc1cc2cc(NC3CCNCC3)ccc2nc1N1CCNCC1
InChIInChI=1S/C18H24ClN5.2ClH/c19-16-12-13-11-15(22-14-3-5-20-6-4-14)1-2-17(13)23-18(16)24-9-7-21-8-10-24;;/h1-2,11-12,14,20-22H,3-10H2;2*1H
InChIKeyJMRLRNSWAFKSTA-UHFFFAOYSA-N
XLogP3.31
TPSA52.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.80
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
CID 166485264
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
CID 166485583
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
[1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 171851681
[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 166485547
2-chloro-4-N-piperidin-4-ylbenzene-1,4-diamine
CID 89025318
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443
2-[4-(3-chloro-2-piperazin-1-ylquinolin-6-yl)triazol-1-yl]-N,N-dimethylethanamine
CID 166485324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride?
The IUPAC name of 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride (CID 166485276) is 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride.
What is the SMILES notation for 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride?
The canonical SMILES for 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride is Cl.Cl.Clc1cc2cc(NC3CCNCC3)ccc2nc1N1CCNCC1.
What is the InChIKey of 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride?
The InChIKey is JMRLRNSWAFKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5.2ClH/c19-16-12-13-11-15(22-14-3-5-20-6-4-14)1-2-17(13)23-18(16)24-9-7-21-8-10-24;;/h1-2,11-12,14,20-22H,3-10H2;2*1H.
What are the key properties of 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride?
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride has a molecular weight of 418.80 g/mol, XLogP of 3.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride is sourced from PubChem (CID 166485276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).