(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone

C22H20F2N2O3 — CID 77105390

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H20F2N2O3/c1-28-18-9-5-3-7-16(18)21(27)26-13-12-22(23,24)19(14-26)29-20-11-10-15-6-2-4-8-17(15)25-20/h2-11,19H,12-14H2,1H3
InChIKeyHFJZNWHZVHFPNG-UHFFFAOYSA-N
MW398.41 g/mol
LogP4.17
Rot. Bonds4

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone (PubChem CID 77105390) has the molecular formula C22H20F2N2O3 and a molecular weight of 398.41 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone
PubChem CID77105390
Molecular FormulaC22H20F2N2O3
Molecular Weight398.41 g/mol
Exact Mass398.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H20F2N2O3/c1-28-18-9-5-3-7-16(18)21(27)26-13-12-22(23,24)19(14-26)29-20-11-10-15-6-2-4-8-17(15)25-20/h2-11,19H,12-14H2,1H3
InChIKeyHFJZNWHZVHFPNG-UHFFFAOYSA-N
XLogP4.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone (CID 77105390) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone?
The InChIKey is HFJZNWHZVHFPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O3/c1-28-18-9-5-3-7-16(18)21(27)26-13-12-22(23,24)19(14-26)29-20-11-10-15-6-2-4-8-17(15)25-20/h2-11,19H,12-14H2,1H3.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methoxyphenyl)methanone has a molecular weight of 398.41 g/mol, XLogP of 4.17, 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)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 77105390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).