(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone

C23H19Cl2FN2O2 — CID 55956901

IUPAC(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H19Cl2FN2O2/c1-13-10-18(17-4-3-16(26)12-21(17)27-13)23(30)28-8-6-14(7-9-28)22(29)15-2-5-19(24)20(25)11-15/h2-5,10-12,14H,6-9H2,1H3
InChIKeyFQBJSQYVOWVGAG-UHFFFAOYSA-N
MW445.32 g/mol
LogP5.72
Rot. Bonds3

About (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 55956901) has the molecular formula C23H19Cl2FN2O2 and a molecular weight of 445.32 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
PubChem CID55956901
Molecular FormulaC23H19Cl2FN2O2
Molecular Weight445.32 g/mol
Exact Mass444.08
IUPAC Name(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc2n1
InChIInChI=1S/C23H19Cl2FN2O2/c1-13-10-18(17-4-3-16(26)12-21(17)27-13)23(30)28-8-6-14(7-9-28)22(29)15-2-5-19(24)20(25)11-15/h2-5,10-12,14H,6-9H2,1H3
InChIKeyFQBJSQYVOWVGAG-UHFFFAOYSA-N
XLogP5.72
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.32
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)pyrrolidine-3-carboxamide
CID 94512731
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
4-[(3S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-3-yl]benzoic acid
CID 97204575
(7-fluoro-2-methylquinolin-4-yl)-[4-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 166203565
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
(3,4-dichlorophenyl)-[1-(3-methyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]methanone
CID 51123065
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(3,4-dichlorophenyl)-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]methanone
CID 55956262
(7-fluoro-2-methylquinolin-4-yl)-[2-(4-fluorophenyl)azetidin-1-yl]methanone
CID 70738729

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone (CID 55956901) is (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone is Cc1cc(C(=O)N2CCC(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccc(F)cc2n1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is FQBJSQYVOWVGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2FN2O2/c1-13-10-18(17-4-3-16(26)12-21(17)27-13)23(30)28-8-6-14(7-9-28)22(29)15-2-5-19(24)20(25)11-15/h2-5,10-12,14H,6-9H2,1H3.
What are the key properties of (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 445.32 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(7-fluoro-2-methylquinoline-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55956901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).