2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine

C22H24FN3O — CID 11079053

IUPAC2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESFc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24FN3O/c23-18-8-6-17(7-9-18)21-16-22(19-4-1-2-5-20(19)25-21)24-10-3-11-26-12-14-27-15-13-26/h1-2,4-9,16H,3,10-15H2,(H,24,25)
InChIKeyQARDYXHSMKRXOF-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.18
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine

2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine (PubChem CID 11079053) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
PubChem CID11079053
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
SMILESFc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H24FN3O/c23-18-8-6-17(7-9-18)21-16-22(19-4-1-2-5-20(19)25-21)24-10-3-11-26-12-14-27-15-13-26/h1-2,4-9,16H,3,10-15H2,(H,24,25)
InChIKeyQARDYXHSMKRXOF-UHFFFAOYSA-N
XLogP4.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine (CID 11079053) is 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine is Fc1ccc(-c2cc(NCCCN3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
The InChIKey is QARDYXHSMKRXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-18-8-6-17(7-9-18)21-16-22(19-4-1-2-5-20(19)25-21)24-10-3-11-26-12-14-27-15-13-26/h1-2,4-9,16H,3,10-15H2,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine?
2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine has a molecular weight of 365.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 11079053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).