2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

C23H26FN3 — CID 73050865

IUPAC2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
SMILESFc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H26FN3/c24-19-11-9-18(10-12-19)22-17-23(20-7-2-3-8-21(20)26-22)25-13-6-16-27-14-4-1-5-15-27/h2-3,7-12,17H,1,4-6,13-16H2,(H,25,26)
InChIKeyYJRVGVCPSKPDTB-UHFFFAOYSA-N
MW363.48 g/mol
LogP5.33
Rot. Bonds6

About 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine (PubChem CID 73050865) has the molecular formula C23H26FN3 and a molecular weight of 363.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
PubChem CID73050865
Molecular FormulaC23H26FN3
Molecular Weight363.48 g/mol
Exact Mass363.21
IUPAC Name2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
SMILESFc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H26FN3/c24-19-11-9-18(10-12-19)22-17-23(20-7-2-3-8-21(20)26-22)25-13-6-16-27-14-4-1-5-15-27/h2-3,7-12,17H,1,4-6,13-16H2,(H,25,26)
InChIKeyYJRVGVCPSKPDTB-UHFFFAOYSA-N
XLogP5.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.48
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
N-(3-aminopropyl)-4-[4-(3-piperidin-1-ylpropylamino)quinolin-2-yl]benzamide
CID 146475702
2-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)quinolin-4-amine;hydrobromide
CID 45051431
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009
N,N'-bis(2-phenylquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531954
N-[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propyl]-N'-[3-[4-[3-[[4-[3-[(2-naphthalen-2-ylquinolin-4-yl)amino]propylamino]-4-oxobutanoyl]amino]propyl]piperazin-1-yl]propyl]butanediamide
CID 18403985
1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
CID 91527469
N-methyl-N'-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
CID 156642138
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
N-methoxy-4-[4-(3-piperidin-1-ylpropylamino)-1,6-naphthyridin-2-yl]benzamide
CID 135373155
N-(3-piperidin-1-ylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4077298
2-chloro-4-fluoro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960814

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine (CID 73050865) is 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine is Fc1ccc(-c2cc(NCCCN3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
The InChIKey is YJRVGVCPSKPDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3/c24-19-11-9-18(10-12-19)22-17-23(20-7-2-3-8-21(20)26-22)25-13-6-16-27-14-4-1-5-15-27/h2-3,7-12,17H,1,4-6,13-16H2,(H,25,26).
What are the key properties of 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine?
2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine has a molecular weight of 363.48 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)quinolin-4-amine is sourced from PubChem (CID 73050865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).