8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine

C18H25ClN4 — CID 125447263

IUPAC8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine
SMILESC[C@@H](CCNc1ccc2cccc(Cl)c2n1)N1CCN(C)CC1
InChIInChI=1S/C18H25ClN4/c1-14(23-12-10-22(2)11-13-23)8-9-20-17-7-6-15-4-3-5-16(19)18(15)21-17/h3-7,14H,8-13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyOBFYVZPHMYQARK-AWEZNQCLSA-N
MW332.88 g/mol
LogP3.33
Rot. Bonds5

About 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine

8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine (PubChem CID 125447263) has the molecular formula C18H25ClN4 and a molecular weight of 332.88 g/mol. Its IUPAC name is 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine.

Molecular Properties

Compound Name8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine
PubChem CID125447263
Molecular FormulaC18H25ClN4
Molecular Weight332.88 g/mol
Exact Mass332.18
IUPAC Name8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine
SMILESC[C@@H](CCNc1ccc2cccc(Cl)c2n1)N1CCN(C)CC1
InChIInChI=1S/C18H25ClN4/c1-14(23-12-10-22(2)11-13-23)8-9-20-17-7-6-15-4-3-5-16(19)18(15)21-17/h3-7,14H,8-13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyOBFYVZPHMYQARK-AWEZNQCLSA-N
XLogP3.33
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Methylquipazine
CID 5013
6-Chloro-4-phenyl-2-(piperazin-1-yl)quinazoline
CID 658787
4-Chloro-6-nitro-2-(piperazin-1-YL)quinoline
CID 10334554
6-Chloro-2-piperazin-1-yl-quinoline
CID 10264015
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
Ezurpimtrostat
CID 121305180
2-[4-(1-Ethyl-propyl)-piperazin-1-yl]-quinoline
CID 11314275
2-(4-Cyclopropyl-piperazin-1-yl)-quinoline
CID 11324846
2-(4-Cyclopentylpiperazin-1-yl)quinoline
CID 11337173
2-(4-Isopropyl-piperazin-1-yl)-quinoline
CID 11393294

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine?
The IUPAC name of 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine (CID 125447263) is 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine.
What is the SMILES notation for 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine?
The canonical SMILES for 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine is C[C@@H](CCNc1ccc2cccc(Cl)c2n1)N1CCN(C)CC1.
What is the InChIKey of 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine?
The InChIKey is OBFYVZPHMYQARK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25ClN4/c1-14(23-12-10-22(2)11-13-23)8-9-20-17-7-6-15-4-3-5-16(19)18(15)21-17/h3-7,14H,8-13H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine?
8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine has a molecular weight of 332.88 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]quinolin-2-amine is sourced from PubChem (CID 125447263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).