(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone

C24H19F2N3O2 — CID 77107994

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)11-13-29(23(30)18-7-9-19-17(14-18)5-3-12-27-19)15-21(24)31-22-10-8-16-4-1-2-6-20(16)28-22/h1-10,12,14,21H,11,13,15H2
InChIKeyYVNLRNKYUOIIPB-UHFFFAOYSA-N
MW419.43 g/mol
LogP4.71
Rot. Bonds3

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone (PubChem CID 77107994) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone
PubChem CID77107994
Molecular FormulaC24H19F2N3O2
Molecular Weight419.43 g/mol
Exact Mass419.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone
SMILESO=C(c1ccc2ncccc2c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C24H19F2N3O2/c25-24(26)11-13-29(23(30)18-7-9-19-17(14-18)5-3-12-27-19)15-21(24)31-22-10-8-16-4-1-2-6-20(16)28-22/h1-10,12,14,21H,11,13,15H2
InChIKeyYVNLRNKYUOIIPB-UHFFFAOYSA-N
XLogP4.71
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 54.71
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)-quinolin-6-ylmethanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone (CID 77107994) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone is O=C(c1ccc2ncccc2c1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone?
The InChIKey is YVNLRNKYUOIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-24(26)11-13-29(23(30)18-7-9-19-17(14-18)5-3-12-27-19)15-21(24)31-22-10-8-16-4-1-2-6-20(16)28-22/h1-10,12,14,21H,11,13,15H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-6-ylmethanone has a molecular weight of 419.43 g/mol, XLogP of 4.71, 3 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)-quinolin-6-ylmethanone is sourced from PubChem (CID 77107994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).