[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone

C24H26FN3O — CID 119646409

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O/c1-2-26-16-17-11-13-28(14-12-17)24(29)21-15-23(18-7-9-19(25)10-8-18)27-22-6-4-3-5-20(21)22/h3-10,15,17,26H,2,11-14,16H2,1H3
InChIKeyWDLZOQHRAVDYMP-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.50
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone

[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone (PubChem CID 119646409) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
PubChem CID119646409
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C24H26FN3O/c1-2-26-16-17-11-13-28(14-12-17)24(29)21-15-23(18-7-9-19(25)10-8-18)27-22-6-4-3-5-20(21)22/h3-10,15,17,26H,2,11-14,16H2,1H3
InChIKeyWDLZOQHRAVDYMP-UHFFFAOYSA-N
XLogP4.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
[2-[4-[3-(ethylamino)propoxy]phenyl]quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 10179324
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
ethyl 1-[2-(4-acetamidophenyl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 46375305
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
1-[2-(4-fluorophenyl)quinoline-4-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60599949
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone (CID 119646409) is [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone is CCNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
The InChIKey is WDLZOQHRAVDYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-2-26-16-17-11-13-28(14-12-17)24(29)21-15-23(18-7-9-19(25)10-8-18)27-22-6-4-3-5-20(21)22/h3-10,15,17,26H,2,11-14,16H2,1H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone has a molecular weight of 391.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 119646409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).