[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C24H21FN4O — CID 163316198

IUPAC[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cnc3cccc(F)c3c2)cc1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C24H21FN4O/c25-21-4-1-5-22-20(21)13-19(14-28-22)16-6-8-17(9-7-16)24(30)29-12-2-3-18(15-29)23-26-10-11-27-23/h1,4-11,13-14,18H,2-3,12,15H2,(H,26,27)
InChIKeyFXVIUXXBEPSWDH-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.78
Rot. Bonds3

About [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone

[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 163316198) has the molecular formula C24H21FN4O and a molecular weight of 400.46 g/mol. Its IUPAC name is [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID163316198
Molecular FormulaC24H21FN4O
Molecular Weight400.46 g/mol
Exact Mass400.17
IUPAC Name[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2cnc3cccc(F)c3c2)cc1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C24H21FN4O/c25-21-4-1-5-22-20(21)13-19(14-28-22)16-6-8-17(9-7-16)24(30)29-12-2-3-18(15-29)23-26-10-11-27-23/h1,4-11,13-14,18H,2-3,12,15H2,(H,26,27)
InChIKeyFXVIUXXBEPSWDH-UHFFFAOYSA-N
XLogP4.78
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 70749547
(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 167931525
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-phenylphenyl)methanone
CID 58494516
3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
4-fluoro-N-[3-[3-(1H-imidazol-2-yl)piperidin-1-yl]-3-oxopropyl]benzamide
CID 70755119
(4-fluorophenyl)-[3-[6-(4-fluorophenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 110249296
(3-fluorophenyl)-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 53137680
(4-fluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093694
(3R)-N-[2-(2,5-difluorophenyl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97319285
(3S)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 125447763

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 163316198) is [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is O=C(c1ccc(-c2cnc3cccc(F)c3c2)cc1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is FXVIUXXBEPSWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O/c25-21-4-1-5-22-20(21)13-19(14-28-22)16-6-8-17(9-7-16)24(30)29-12-2-3-18(15-29)23-26-10-11-27-23/h1,4-11,13-14,18H,2-3,12,15H2,(H,26,27).
What are the key properties of [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 400.46 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 163316198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).