3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine

C18H24ClN5 — CID 166485264

IUPAC3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
SMILESClc1cc2cc(N[C@H]3CCCNC3)ccc2nc1N1CCNCC1
InChIInChI=1S/C18H24ClN5/c19-16-11-13-10-14(22-15-2-1-5-21-12-15)3-4-17(13)23-18(16)24-8-6-20-7-9-24/h3-4,10-11,15,20-22H,1-2,5-9,12H2/t15-/m0/s1
InChIKeyGLRJPLHAKBPVLE-HNNXBMFYSA-N
MW345.88 g/mol
LogP2.46
Rot. Bonds3

About 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine

3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine (PubChem CID 166485264) has the molecular formula C18H24ClN5 and a molecular weight of 345.88 g/mol. Its IUPAC name is 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine.

Molecular Properties

Compound Name3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
PubChem CID166485264
Molecular FormulaC18H24ClN5
Molecular Weight345.88 g/mol
Exact Mass345.17
IUPAC Name3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
SMILESClc1cc2cc(N[C@H]3CCCNC3)ccc2nc1N1CCNCC1
InChIInChI=1S/C18H24ClN5/c19-16-11-13-10-14(22-15-2-1-5-21-12-15)3-4-17(13)23-18(16)24-8-6-20-7-9-24/h3-4,10-11,15,20-22H,1-2,5-9,12H2/t15-/m0/s1
InChIKeyGLRJPLHAKBPVLE-HNNXBMFYSA-N
XLogP2.46
TPSA52.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
CID 166485583
N-(4-chloro-3-methoxyphenyl)piperidin-3-amine
CID 107621326
[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
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
(3R)-N-(4-bromophenyl)piperidin-3-amine
CID 167150993
tert-butyl 5-[[(3S)-piperidin-3-yl]amino]indazole-1-carboxylate
CID 97056352
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine?
The IUPAC name of 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine (CID 166485264) is 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine.
What is the SMILES notation for 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine?
The canonical SMILES for 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine is Clc1cc2cc(N[C@H]3CCCNC3)ccc2nc1N1CCNCC1.
What is the InChIKey of 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine?
The InChIKey is GLRJPLHAKBPVLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24ClN5/c19-16-11-13-10-14(22-15-2-1-5-21-12-15)3-4-17(13)23-18(16)24-8-6-20-7-9-24/h3-4,10-11,15,20-22H,1-2,5-9,12H2/t15-/m0/s1.
What are the key properties of 3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine?
3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine has a molecular weight of 345.88 g/mol, XLogP of 2.46, 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-[(3S)-piperidin-3-yl]quinolin-6-amine is sourced from PubChem (CID 166485264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).