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

C23H22F2N2O3 — CID 77105015

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H22F2N2O3/c1-2-29-19-10-6-4-8-17(19)22(28)27-14-13-23(24,25)20(15-27)30-21-12-11-16-7-3-5-9-18(16)26-21/h3-12,20H,2,13-15H2,1H3
InChIKeyZEYNGYIXZXIUIW-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.56
Rot. Bonds5

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 77105015) has the molecular formula C23H22F2N2O3 and a molecular weight of 412.44 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID77105015
Molecular FormulaC23H22F2N2O3
Molecular Weight412.44 g/mol
Exact Mass412.16
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H22F2N2O3/c1-2-29-19-10-6-4-8-17(19)22(28)27-14-13-23(24,25)20(15-27)30-21-12-11-16-7-3-5-9-18(16)26-21/h3-12,20H,2,13-15H2,1H3
InChIKeyZEYNGYIXZXIUIW-UHFFFAOYSA-N
XLogP4.56
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
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
N-cyclohexyl-2-isopropoxy-4-quinolinecarboxamide
CID 891858
(2-Morpholin-4-yl-2-oxoethyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2358377
N-[(4-ethoxyphenyl)methyl]-N-methylquinoline-2-carboxamide
CID 2530477
N-(2-methoxybenzyl)-2-methylquinoline-4-carboxamide
CID 2713353
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methylquinoline-4-carboxamide
CID 3914317
[2-(4-Ethoxyphenyl)quinolin-4-yl](pyrrolidin-1-yl)methanone
CID 757764
N-[2-(2,6-dimethylphenoxy)ethyl]-2-quinolinecarboxamide
CID 2174479

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone (CID 77105015) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is ZEYNGYIXZXIUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O3/c1-2-29-19-10-6-4-8-17(19)22(28)27-14-13-23(24,25)20(15-27)30-21-12-11-16-7-3-5-9-18(16)26-21/h3-12,20H,2,13-15H2,1H3.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 412.44 g/mol, XLogP of 4.56, 5 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-ethoxyphenyl)methanone is sourced from PubChem (CID 77105015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).