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

C23H22F2N2O4 — CID 90284734

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H22F2N2O4/c1-29-17-8-5-9-18(30-2)21(17)22(28)27-13-12-23(24,25)19(14-27)31-20-11-10-15-6-3-4-7-16(15)26-20/h3-11,19H,12-14H2,1-2H3
InChIKeyRGDAOBMLWBCFES-UHFFFAOYSA-N
MW428.44 g/mol
LogP4.18
Rot. Bonds5

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone (PubChem CID 90284734) has the molecular formula C23H22F2N2O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone
PubChem CID90284734
Molecular FormulaC23H22F2N2O4
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone
SMILESCOc1cccc(OC)c1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H22F2N2O4/c1-29-17-8-5-9-18(30-2)21(17)22(28)27-13-12-23(24,25)19(14-27)31-20-11-10-15-6-3-4-7-16(15)26-20/h3-11,19H,12-14H2,1-2H3
InChIKeyRGDAOBMLWBCFES-UHFFFAOYSA-N
XLogP4.18
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-quinolin-5-ylmethanone
CID 134134612
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 134139865
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-imidazo[1,2-b]pyridazin-2-ylmethanone
CID 90286456
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indol-3-yl)methanone
CID 123303137
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-fluoro-3-(hydroxymethyl)-6-(triazol-2-yl)phenyl]methanone
CID 77105776
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 123984379
1H-benzimidazol-4-yl-[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]methanone;hydrochloride
CID 118496843
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-(5-methyltetrazol-2-yl)phenyl]methanone
CID 123277861
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 77107188
(2,2-difluoro-1,3-benzodioxol-4-yl)-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone;ethane;formaldehyde;2,2,2-trifluoroacetic acid
CID 144671449
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 90298436
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 77107992

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone (CID 90284734) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone is COc1cccc(OC)c1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone?
The InChIKey is RGDAOBMLWBCFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4/c1-29-17-8-5-9-18(30-2)21(17)22(28)27-13-12-23(24,25)19(14-27)31-20-11-10-15-6-3-4-7-16(15)26-20/h3-11,19H,12-14H2,1-2H3.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone has a molecular weight of 428.44 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,6-dimethoxyphenyl)methanone is sourced from PubChem (CID 90284734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).