(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone

C25H20F2N2O3 — CID 77106196

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C25H20F2N2O3/c26-25(27)12-13-29(24(30)19-7-3-6-18(15-19)21-9-4-14-31-21)16-22(25)32-23-11-10-17-5-1-2-8-20(17)28-23/h1-11,14-15,22H,12-13,16H2
InChIKeyCKXHYPHGZZIKQV-UHFFFAOYSA-N
MW434.44 g/mol
LogP5.42
Rot. Bonds4

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone (PubChem CID 77106196) has the molecular formula C25H20F2N2O3 and a molecular weight of 434.44 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone
PubChem CID77106196
Molecular FormulaC25H20F2N2O3
Molecular Weight434.44 g/mol
Exact Mass434.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone
SMILESO=C(c1cccc(-c2ccco2)c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C25H20F2N2O3/c26-25(27)12-13-29(24(30)19-7-3-6-18(15-19)21-9-4-14-31-21)16-22(25)32-23-11-10-17-5-1-2-8-20(17)28-23/h1-11,14-15,22H,12-13,16H2
InChIKeyCKXHYPHGZZIKQV-UHFFFAOYSA-N
XLogP5.42
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone (CID 77106196) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone is O=C(c1cccc(-c2ccco2)c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone?
The InChIKey is CKXHYPHGZZIKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N2O3/c26-25(27)12-13-29(24(30)19-7-3-6-18(15-19)21-9-4-14-31-21)16-22(25)32-23-11-10-17-5-1-2-8-20(17)28-23/h1-11,14-15,22H,12-13,16H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone has a molecular weight of 434.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[3-(furan-2-yl)phenyl]methanone is sourced from PubChem (CID 77106196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).