(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C23H20F2N2O3 — CID 77106195

IUPAC(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cccc2c1OCC2)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H20F2N2O3/c24-23(25)11-12-27(22(28)17-6-3-5-16-10-13-29-21(16)17)14-19(23)30-20-9-8-15-4-1-2-7-18(15)26-20/h1-9,19H,10-14H2
InChIKeyBMKBFCHXRXPUMU-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.10
Rot. Bonds3

About (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 77106195) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

Compound Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
PubChem CID77106195
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
SMILESO=C(c1cccc2c1OCC2)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H20F2N2O3/c24-23(25)11-12-27(22(28)17-6-3-5-16-10-13-29-21(16)17)14-19(23)30-20-9-8-15-4-1-2-7-18(15)26-20/h1-9,19H,10-14H2
InChIKeyBMKBFCHXRXPUMU-UHFFFAOYSA-N
XLogP4.10
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.10
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)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The IUPAC name of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 77106195) is (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.
What is the SMILES notation for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The canonical SMILES for (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1cccc2c1OCC2)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
The InChIKey is BMKBFCHXRXPUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c24-23(25)11-12-27(22(28)17-6-3-5-16-10-13-29-21(16)17)14-19(23)30-20-9-8-15-4-1-2-7-18(15)26-20/h1-9,19H,10-14H2.
What are the key properties of (4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?
(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 410.42 g/mol, XLogP of 4.10, 3 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)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 77106195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).