propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate

C24H24BrFN2O3 — CID 57496347

IUPACpropan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccnc3c(-c4ccc(Br)cc4F)cccc23)CC1
InChIInChI=1S/C24H24BrFN2O3/c1-15(2)30-24(29)28-12-9-17(10-13-28)31-22-8-11-27-23-19(4-3-5-20(22)23)18-7-6-16(25)14-21(18)26/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3
InChIKeyKWVKNZLQBIVWTK-UHFFFAOYSA-N
MW487.37 g/mol
LogP6.19
Rot. Bonds4

About propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate

propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate (PubChem CID 57496347) has the molecular formula C24H24BrFN2O3 and a molecular weight of 487.37 g/mol. Its IUPAC name is propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate
PubChem CID57496347
Molecular FormulaC24H24BrFN2O3
Molecular Weight487.37 g/mol
Exact Mass486.10
IUPAC Namepropan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(Oc2ccnc3c(-c4ccc(Br)cc4F)cccc23)CC1
InChIInChI=1S/C24H24BrFN2O3/c1-15(2)30-24(29)28-12-9-17(10-13-28)31-22-8-11-27-23-19(4-3-5-20(22)23)18-7-6-16(25)14-21(18)26/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3
InChIKeyKWVKNZLQBIVWTK-UHFFFAOYSA-N
XLogP6.19
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.37
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate (CID 57496347) is propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate is CC(C)OC(=O)N1CCC(Oc2ccnc3c(-c4ccc(Br)cc4F)cccc23)CC1.
What is the InChIKey of propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate?
The InChIKey is KWVKNZLQBIVWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrFN2O3/c1-15(2)30-24(29)28-12-9-17(10-13-28)31-22-8-11-27-23-19(4-3-5-20(22)23)18-7-6-16(25)14-21(18)26/h3-8,11,14-15,17H,9-10,12-13H2,1-2H3.
What are the key properties of propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate?
propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate has a molecular weight of 487.37 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[8-(4-bromo-2-fluorophenyl)quinolin-4-yl]oxypiperidine-1-carboxylate is sourced from PubChem (CID 57496347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).