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

C23H24FN3O — CID 119544927

IUPAC[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H24FN3O/c1-25-15-16-10-12-27(13-11-16)23(28)20-14-22(17-6-8-18(24)9-7-17)26-21-5-3-2-4-19(20)21/h2-9,14,16,25H,10-13,15H2,1H3
InChIKeyXXSZGYVXAOILSY-UHFFFAOYSA-N
MW377.46 g/mol
LogP4.11
Rot. Bonds4

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

[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119544927) has the molecular formula C23H24FN3O and a molecular weight of 377.46 g/mol. Its IUPAC name is [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119544927
Molecular FormulaC23H24FN3O
Molecular Weight377.46 g/mol
Exact Mass377.19
IUPAC Name[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1
InChIInChI=1S/C23H24FN3O/c1-25-15-16-10-12-27(13-11-16)23(28)20-14-22(17-6-8-18(24)9-7-17)26-21-5-3-2-4-19(20)21/h2-9,14,16,25H,10-13,15H2,1H3
InChIKeyXXSZGYVXAOILSY-UHFFFAOYSA-N
XLogP4.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
[2-(4-methoxyphenyl)quinolin-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396458
(2-cyclopropylquinolin-4-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119540094
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone;dihydrochloride
CID 119538448
ethyl (3R)-1-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 7745228
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
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119544927) is [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1.
What is the InChIKey of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is XXSZGYVXAOILSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O/c1-25-15-16-10-12-27(13-11-16)23(28)20-14-22(17-6-8-18(24)9-7-17)26-21-5-3-2-4-19(20)21/h2-9,14,16,25H,10-13,15H2,1H3.
What are the key properties of [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 377.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119544927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).