(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone

C28H24Cl2N2O — CID 4626628

IUPAC(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H24Cl2N2O/c29-24-11-10-21(17-25(24)30)27-18-23(22-8-4-5-9-26(22)31-27)28(33)32-14-12-20(13-15-32)16-19-6-2-1-3-7-19/h1-11,17-18,20H,12-16H2
InChIKeyRKLVWGXMODYQTL-UHFFFAOYSA-N
MW475.42 g/mol
LogP7.30
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone (PubChem CID 4626628) has the molecular formula C28H24Cl2N2O and a molecular weight of 475.42 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
PubChem CID4626628
Molecular FormulaC28H24Cl2N2O
Molecular Weight475.42 g/mol
Exact Mass474.13
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
SMILESO=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C28H24Cl2N2O/c29-24-11-10-21(17-25(24)30)27-18-23(22-8-4-5-9-26(22)31-27)28(33)32-14-12-20(13-15-32)16-19-6-2-1-3-7-19/h1-11,17-18,20H,12-16H2
InChIKeyRKLVWGXMODYQTL-UHFFFAOYSA-N
XLogP7.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone with MolForge

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Related Compounds

(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)-1,3-oxazol-4-yl]methanone
CID 84557885
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
CID 55955997
[2-(4-fluorophenyl)quinolin-4-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119544927
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(4-fluorophenyl)quinolin-4-yl]methanone
CID 119646409
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
(4-benzylpiperidin-1-yl)-[7-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46074651
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone (CID 4626628) is (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone is O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone?
The InChIKey is RKLVWGXMODYQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O/c29-24-11-10-21(17-25(24)30)27-18-23(22-8-4-5-9-26(22)31-27)28(33)32-14-12-20(13-15-32)16-19-6-2-1-3-7-19/h1-11,17-18,20H,12-16H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone has a molecular weight of 475.42 g/mol, XLogP of 7.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone is sourced from PubChem (CID 4626628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).