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

C19H20ClN3 — CID 72771081

IUPAC7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
SMILESNc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
InChIInChI=1S/C19H20ClN3/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)
InChIKeyLTZZOZXCYRCKFV-UHFFFAOYSA-N
MW325.84 g/mol
LogP3.85
Rot. Bonds6

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

7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine (PubChem CID 72771081) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
PubChem CID72771081
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine
SMILESNc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1
InChIInChI=1S/C19H20ClN3/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)
InChIKeyLTZZOZXCYRCKFV-UHFFFAOYSA-N
XLogP3.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 53.85
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?
The IUPAC name of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine (CID 72771081) is 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine.
What is the SMILES notation for 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine?
The canonical SMILES for 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine is Nc1ccc2ccc(CCNCCc3cccc(Cl)c3)cc2n1.
What is the InChIKey of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine?
The InChIKey is LTZZOZXCYRCKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/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).
What are the key properties of 7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine?
7-[2-[2-(3-chlorophenyl)ethylamino]ethyl]quinolin-2-amine has a molecular weight of 325.84 g/mol, XLogP of 3.85, 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 is sourced from PubChem (CID 72771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).