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

C25H20F2N4O2 — CID 77105394

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1cnccn1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C25H20F2N4O2/c26-25(27)11-14-31(16-22(25)33-23-10-9-17-5-1-4-8-20(17)30-23)24(32)19-7-3-2-6-18(19)21-15-28-12-13-29-21/h1-10,12-13,15,22H,11,14,16H2
InChIKeyWKCGKAVLWKQNPC-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.62
Rot. Bonds4

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

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone (PubChem CID 77105394) has the molecular formula C25H20F2N4O2 and a molecular weight of 446.46 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone
PubChem CID77105394
Molecular FormulaC25H20F2N4O2
Molecular Weight446.46 g/mol
Exact Mass446.16
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone
SMILESO=C(c1ccccc1-c1cnccn1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C25H20F2N4O2/c26-25(27)11-14-31(16-22(25)33-23-10-9-17-5-1-4-8-20(17)30-23)24(32)19-7-3-2-6-18(19)21-15-28-12-13-29-21/h1-10,12-13,15,22H,11,14,16H2
InChIKeyWKCGKAVLWKQNPC-UHFFFAOYSA-N
XLogP4.62
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone (CID 77105394) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone is O=C(c1ccccc1-c1cnccn1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone?
The InChIKey is WKCGKAVLWKQNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O2/c26-25(27)11-14-31(16-22(25)33-23-10-9-17-5-1-4-8-20(17)30-23)24(32)19-7-3-2-6-18(19)21-15-28-12-13-29-21/h1-10,12-13,15,22H,11,14,16H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-pyrazin-2-ylphenyl)methanone has a molecular weight of 446.46 g/mol, XLogP of 4.62, 4 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-pyrazin-2-ylphenyl)methanone is sourced from PubChem (CID 77105394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).