6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline

C24H25BrF2N2O — CID 25168393

IUPAC6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cc(F)cnc12
InChIInChI=1S/C24H25BrF2N2O/c1-16(22-13-19(25)11-17-12-21(27)14-28-23(17)22)30-15-24(7-9-29(2)10-8-24)18-3-5-20(26)6-4-18/h3-6,11-14,16H,7-10,15H2,1-2H3
InChIKeyRZNGGWIKGCADRE-UHFFFAOYSA-N
MW475.38 g/mol
LogP6.02
Rot. Bonds5

About 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline

6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline (PubChem CID 25168393) has the molecular formula C24H25BrF2N2O and a molecular weight of 475.38 g/mol. Its IUPAC name is 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline.

Molecular Properties

Compound Name6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
PubChem CID25168393
Molecular FormulaC24H25BrF2N2O
Molecular Weight475.38 g/mol
Exact Mass474.11
IUPAC Name6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cc(F)cnc12
InChIInChI=1S/C24H25BrF2N2O/c1-16(22-13-19(25)11-17-12-21(27)14-28-23(17)22)30-15-24(7-9-29(2)10-8-24)18-3-5-20(26)6-4-18/h3-6,11-14,16H,7-10,15H2,1-2H3
InChIKeyRZNGGWIKGCADRE-UHFFFAOYSA-N
XLogP6.02
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The IUPAC name of 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline (CID 25168393) is 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline.
What is the SMILES notation for 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The canonical SMILES for 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Br)cc2cc(F)cnc12.
What is the InChIKey of 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
The InChIKey is RZNGGWIKGCADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrF2N2O/c1-16(22-13-19(25)11-17-12-21(27)14-28-23(17)22)30-15-24(7-9-29(2)10-8-24)18-3-5-20(26)6-4-18/h3-6,11-14,16H,7-10,15H2,1-2H3.
What are the key properties of 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline?
6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline has a molecular weight of 475.38 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]quinoline is sourced from PubChem (CID 25168393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).