(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone

C25H25Cl2FN2O2 — CID 158203487

IUPAC(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CCCCOc2cccc3cccnc23)CC1
InChIInChI=1S/C25H25Cl2FN2O2/c26-20-9-8-19(17-21(20)27)24(31)30-14-11-25(28,12-15-30)10-1-2-16-32-22-7-3-5-18-6-4-13-29-23(18)22/h3-9,13,17H,1-2,10-12,14-16H2
InChIKeyQZEKIXHOXKPQHA-UHFFFAOYSA-N
MW475.39 g/mol
LogP6.74
Rot. Bonds7

About (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone (PubChem CID 158203487) has the molecular formula C25H25Cl2FN2O2 and a molecular weight of 475.39 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone
PubChem CID158203487
Molecular FormulaC25H25Cl2FN2O2
Molecular Weight475.39 g/mol
Exact Mass474.13
IUPAC Name(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CCCCOc2cccc3cccnc23)CC1
InChIInChI=1S/C25H25Cl2FN2O2/c26-20-9-8-19(17-21(20)27)24(31)30-14-11-25(28,12-15-30)10-1-2-16-32-22-7-3-5-18-6-4-13-29-23(18)22/h3-9,13,17H,1-2,10-12,14-16H2
InChIKeyQZEKIXHOXKPQHA-UHFFFAOYSA-N
XLogP6.74
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.39
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Biarylether amide quinoline, 4m
CID 44473001
Biarylether amide quinoline, 4o
CID 44473003
Biarylether amide quinoline, 4p
CID 44473004
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256724
(3,4-Dichlorophenyl)-[4-fluoro-4-[(2-quinolin-8-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132256810
Quinolin-8-yl 2-(4-chlorophenyl)acetate
CID 805381
4-[(E)-3-[[(E)-3-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]prop-2-enyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 10792967
4-((E)-2-{(Z)-3-[2,4-Dichloro-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-allylcarbamoyl}-vinyl)-N-methyl-benzamide
CID 11800992
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-8-yloxypropan-1-one
CID 45487320
3,4-dichloro-N-[2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl]benzamide
CID 146503219
5-Chloro-7-(4-morpholinylmethyl)-8-quinolinyl 4-fluorobenzoate
CID 1242782
5-Chloro-7-(morpholinomethyl)quinolin-8-yl 2-chlorobenzoate
CID 1523424

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone (CID 158203487) is (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CCCCOc2cccc3cccnc23)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone?
The InChIKey is QZEKIXHOXKPQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2FN2O2/c26-20-9-8-19(17-21(20)27)24(31)30-14-11-25(28,12-15-30)10-1-2-16-32-22-7-3-5-18-6-4-13-29-23(18)22/h3-9,13,17H,1-2,10-12,14-16H2.
What are the key properties of (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone has a molecular weight of 475.39 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-fluoro-4-(4-quinolin-8-yloxybutyl)piperidin-1-yl]methanone is sourced from PubChem (CID 158203487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).