7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride

C19H22Cl3N3 — CID 78426482

IUPAC7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
InChIInChI=1S/C19H20ClN3.2ClH/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15;;/h1-7,12-13,22H,8-11H2,(H2,21,23);2*1H
InChIKeyWFQULWZJBCEQEF-UHFFFAOYSA-N
MW398.77 g/mol
LogP4.69
Rot. Bonds6

About 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride

7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride (PubChem CID 78426482) has the molecular formula C19H22Cl3N3 and a molecular weight of 398.77 g/mol. Its IUPAC name is 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride.

Molecular Properties

Compound Name7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride
PubChem CID78426482
Molecular FormulaC19H22Cl3N3
Molecular Weight398.77 g/mol
Exact Mass397.09
IUPAC Name7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride
SMILESCl.Cl.Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
InChIInChI=1S/C19H20ClN3.2ClH/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15;;/h1-7,12-13,22H,8-11H2,(H2,21,23);2*1H
InChIKeyWFQULWZJBCEQEF-UHFFFAOYSA-N
XLogP4.69
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride?
The IUPAC name of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride (CID 78426482) is 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride.
What is the SMILES notation for 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride?
The canonical SMILES for 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride is Cl.Cl.Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1.
What is the InChIKey of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride?
The InChIKey is WFQULWZJBCEQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3.2ClH/c20-17-3-1-2-14(12-17)8-10-22-11-9-15-4-5-16-6-7-19(21)23-18(16)13-15;;/h1-7,12-13,22H,8-11H2,(H2,21,23);2*1H.
What are the key properties of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride?
7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride has a molecular weight of 398.77 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine;dihydrochloride is sourced from PubChem (CID 78426482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).