(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

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

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Related Compounds

Biarylether amide quinoline, 4g
CID 44123769
Biarylether amide quinoline, 4d
CID 44472994
Biarylether amide quinoline, 4f
CID 44472996
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(1H-indol-4-yl)methanone
CID 90298431
N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxypyridin-3-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90407961
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
CID 118726314
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-quinolin-5-yloxypropan-1-one
CID 45487339
2-(2,6-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 54575103
N-methyl-N-pyridin-4-yl-4-(quinolin-2-ylmethoxy)benzamide
CID 54759276
Pde10A-IN-8
CID 56596230
(4,4-Difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
CID 77105011

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).