7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine

C20H22FN3 — CID 72771079

IUPAC7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
SMILESNc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
InChIInChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
InChIKeyZCQVAHWJMSLTRU-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.72
Rot. Bonds7

About 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine

7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine (PubChem CID 72771079) has the molecular formula C20H22FN3 and a molecular weight of 323.42 g/mol. Its IUPAC name is 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine.

Molecular Properties

Compound Name7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
PubChem CID72771079
Molecular FormulaC20H22FN3
Molecular Weight323.42 g/mol
Exact Mass323.18
IUPAC Name7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine
SMILESNc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1
InChIInChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24)
InChIKeyZCQVAHWJMSLTRU-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.72
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-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine?
The IUPAC name of 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine (CID 72771079) is 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine.
What is the SMILES notation for 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine?
The canonical SMILES for 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine is Nc1ccc2ccc(CCNCCCc3cccc(F)c3)cc2n1.
What is the InChIKey of 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine?
The InChIKey is ZCQVAHWJMSLTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3/c21-18-5-1-3-15(13-18)4-2-11-23-12-10-16-6-7-17-8-9-20(22)24-19(17)14-16/h1,3,5-9,13-14,23H,2,4,10-12H2,(H2,22,24).
What are the key properties of 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine?
7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine has a molecular weight of 323.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine is sourced from PubChem (CID 72771079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).