7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride

C18H26Cl2N4 — CID 44531448

IUPAC7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride
SMILESCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1.Cl
InChIInChI=1S/C18H25ClN4.ClH/c1-2-22-10-12-23(13-11-22)9-3-7-20-17-6-8-21-18-14-15(19)4-5-16(17)18;/h4-6,8,14H,2-3,7,9-13H2,1H3,(H,20,21);1H
InChIKeyNMINUDREPZZLRU-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.75
Rot. Bonds6

About 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride

7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride (PubChem CID 44531448) has the molecular formula C18H26Cl2N4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride
PubChem CID44531448
Molecular FormulaC18H26Cl2N4
Molecular Weight369.34 g/mol
Exact Mass368.15
IUPAC Name7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride
SMILESCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1.Cl
InChIInChI=1S/C18H25ClN4.ClH/c1-2-22-10-12-23(13-11-22)9-3-7-20-17-6-8-21-18-14-15(19)4-5-16(17)18;/h4-6,8,14H,2-3,7,9-13H2,1H3,(H,20,21);1H
InChIKeyNMINUDREPZZLRU-UHFFFAOYSA-N
XLogP3.75
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride?
The IUPAC name of 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride (CID 44531448) is 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride.
What is the SMILES notation for 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride?
The canonical SMILES for 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride is CCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1.Cl.
What is the InChIKey of 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride?
The InChIKey is NMINUDREPZZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4.ClH/c1-2-22-10-12-23(13-11-22)9-3-7-20-17-6-8-21-18-14-15(19)4-5-16(17)18;/h4-6,8,14H,2-3,7,9-13H2,1H3,(H,20,21);1H.
What are the key properties of 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride?
7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride has a molecular weight of 369.34 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44531448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).