6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one

C24H26ClFN2O2 — CID 10895255

IUPAC6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2cc(Cl)ccc21
InChIInChI=1S/C24H26ClFN2O2/c1-27-22-7-4-20(25)15-19(22)14-18(24(27)30)10-13-28-11-8-17(9-12-28)23(29)16-2-5-21(26)6-3-16/h2-7,15,17-18H,8-14H2,1H3
InChIKeyNCUKFQNAKJJSIX-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.60
Rot. Bonds5

About 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one

6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 10895255) has the molecular formula C24H26ClFN2O2 and a molecular weight of 428.94 g/mol. Its IUPAC name is 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID10895255
Molecular FormulaC24H26ClFN2O2
Molecular Weight428.94 g/mol
Exact Mass428.17
IUPAC Name6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCN1C(=O)C(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2cc(Cl)ccc21
InChIInChI=1S/C24H26ClFN2O2/c1-27-22-7-4-20(25)15-19(22)14-18(24(27)30)10-13-28-11-8-17(9-12-28)23(29)16-2-5-21(26)6-3-16/h2-7,15,17-18H,8-14H2,1H3
InChIKeyNCUKFQNAKJJSIX-UHFFFAOYSA-N
XLogP4.60
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

5-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 21424815
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
(4-chlorophenyl)-[1-[6-(2,5-difluorophenyl)hexyl]piperidin-4-yl]methanone
CID 142018842
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
CID 58172371
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921
1-[(3-chlorophenyl)methyl]-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]benzimidazol-2-one
CID 18780663
5,6-dichloro-3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
CID 21424827
[1-[2-(4-chlorophenyl)-2-methoxyethyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 23503572
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 14500384
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 14968317
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 10895255) is 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one is CN1C(=O)C(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is NCUKFQNAKJJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O2/c1-27-22-7-4-20(25)15-19(22)14-18(24(27)30)10-13-28-11-8-17(9-12-28)23(29)16-2-5-21(26)6-3-16/h2-7,15,17-18H,8-14H2,1H3.
What are the key properties of 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one?
6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 428.94 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 10895255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).