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

C21H17F3N2O2 — CID 77105011

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F3N2O2/c22-16-7-3-2-6-15(16)20(27)26-12-11-21(23,24)18(13-26)28-19-10-9-14-5-1-4-8-17(14)25-19/h1-10,18H,11-13H2
InChIKeyWTJOAMGQUVUPEB-UHFFFAOYSA-N
MW386.37 g/mol
LogP4.30
Rot. Bonds3

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone (PubChem CID 77105011) has the molecular formula C21H17F3N2O2 and a molecular weight of 386.37 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
PubChem CID77105011
Molecular FormulaC21H17F3N2O2
Molecular Weight386.37 g/mol
Exact Mass386.12
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C21H17F3N2O2/c22-16-7-3-2-6-15(16)20(27)26-12-11-21(23,24)18(13-26)28-19-10-9-14-5-1-4-8-17(14)25-19/h1-10,18H,11-13H2
InChIKeyWTJOAMGQUVUPEB-UHFFFAOYSA-N
XLogP4.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
Eth 615
CID 131627
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
Biarylether amide quinoline, 4g
CID 44123769
[(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
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(6-methylquinoline-2-carbonyl)piperazin-2-one
CID 122600574
N-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265
2-(4-Ethoxyphenyl)-4-[(4-methylpiperazin-1-yl)carbonyl]quinoline
CID 1540951
Ethyl 4-{[2-(4-ethoxyphenyl)quinolin-4-yl]carbonyl}piperazine-1-carboxylate
CID 3237815
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-(2-pyridin-2-ylphenyl)methanone
CID 118726314

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone (CID 77105011) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
The InChIKey is WTJOAMGQUVUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O2/c22-16-7-3-2-6-15(16)20(27)26-12-11-21(23,24)18(13-26)28-19-10-9-14-5-1-4-8-17(14)25-19/h1-10,18H,11-13H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone has a molecular weight of 386.37 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 77105011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).