(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone

C22H19F3N2O3 — CID 123517068

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone
SMILESCOc1ccc(F)c(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C22H19F3N2O3/c1-29-15-7-8-17(23)16(12-15)21(28)27-11-10-22(24,25)19(13-27)30-20-9-6-14-4-2-3-5-18(14)26-20/h2-9,12,19H,10-11,13H2,1H3
InChIKeyPCCFUTSTUHACKF-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.31
Rot. Bonds4

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone (PubChem CID 123517068) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone
PubChem CID123517068
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone
SMILESCOc1ccc(F)c(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1
InChIInChI=1S/C22H19F3N2O3/c1-29-15-7-8-17(23)16(12-15)21(28)27-11-10-22(24,25)19(13-27)30-20-9-6-14-4-2-3-5-18(14)26-20/h2-9,12,19H,10-11,13H2,1H3
InChIKeyPCCFUTSTUHACKF-UHFFFAOYSA-N
XLogP4.31
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone (CID 123517068) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone is COc1ccc(F)c(C(=O)N2CCC(F)(F)C(Oc3ccc4ccccc4n3)C2)c1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone?
The InChIKey is PCCFUTSTUHACKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-29-15-7-8-17(23)16(12-15)21(28)27-11-10-22(24,25)19(13-27)30-20-9-6-14-4-2-3-5-18(14)26-20/h2-9,12,19H,10-11,13H2,1H3.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2-fluoro-5-methoxyphenyl)methanone has a molecular weight of 416.40 g/mol, XLogP of 4.31, 4 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-fluoro-5-methoxyphenyl)methanone is sourced from PubChem (CID 123517068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).