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

C22H20F2N2O2 — CID 77105013

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H20F2N2O2/c1-15-6-2-4-8-17(15)21(27)26-13-12-22(23,24)19(14-26)28-20-11-10-16-7-3-5-9-18(16)25-20/h2-11,19H,12-14H2,1H3
InChIKeyOBZPQPZHWIEXBQ-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.47
Rot. Bonds3

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone (PubChem CID 77105013) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone
PubChem CID77105013
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C22H20F2N2O2/c1-15-6-2-4-8-17(15)21(27)26-13-12-22(23,24)19(14-26)28-20-11-10-16-7-3-5-9-18(16)25-20/h2-11,19H,12-14H2,1H3
InChIKeyOBZPQPZHWIEXBQ-UHFFFAOYSA-N
XLogP4.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Dibucaine
CID 3025
Dibucaine Hydrochloride
CID 521951
Biarylether amide quinoline, 4g
CID 44123769
KF 17643
CID 132697
2-Pentyloxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339912
2-Butoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339913
2-Isobutoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339933
2-Ethoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44339934
2-Isopropoxy-quinoline-4-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 44363536
[(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-(4-ethoxyphenyl)-2-methoxyquinoline-4-carboxamide
CID 705265

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone (CID 77105013) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone?
The InChIKey is OBZPQPZHWIEXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-15-6-2-4-8-17(15)21(27)26-13-12-22(23,24)19(14-26)28-20-11-10-16-7-3-5-9-18(16)25-20/h2-11,19H,12-14H2,1H3.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-methylphenyl)methanone has a molecular weight of 382.41 g/mol, XLogP of 4.47, 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-methylphenyl)methanone is sourced from PubChem (CID 77105013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).