1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone

C23H20N2O3 — CID 91625324

IUPAC1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C23H20N2O3/c26-23(21-15-17-5-1-2-8-19(17)28-21)25-13-10-18(11-14-25)27-20-9-3-6-16-7-4-12-24-22(16)20/h1-9,12,15,18H,10-11,13-14H2
InChIKeyAGOTYLBPPSCUAU-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.66
Rot. Bonds3

About 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone

1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone (PubChem CID 91625324) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
PubChem CID91625324
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCC(Oc2cccc3cccnc23)CC1
InChIInChI=1S/C23H20N2O3/c26-23(21-15-17-5-1-2-8-19(17)28-21)25-13-10-18(11-14-25)27-20-9-3-6-16-7-4-12-24-22(16)20/h1-9,12,15,18H,10-11,13-14H2
InChIKeyAGOTYLBPPSCUAU-UHFFFAOYSA-N
XLogP4.66
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzofuran-2-yl-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 90566033
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
1-benzofuran-2-yl-[4-(4-chlorophenoxy)piperidin-1-yl]methanone
CID 53235473
N-[[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]methyl]quinoline-8-sulfonamide
CID 72717929
1-benzofuran-2-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2707484
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
1-benzofuran-2-yl-[3-[(3-bromo-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249981
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
1-benzofuran-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248546
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
1-benzofuran-2-yl-[4-(chloromethyl)piperidin-1-yl]methanone
CID 55188193

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone (CID 91625324) is 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone is O=C(c1cc2ccccc2o1)N1CCC(Oc2cccc3cccnc23)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
The InChIKey is AGOTYLBPPSCUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-23(21-15-17-5-1-2-8-19(17)28-21)25-13-10-18(11-14-25)27-20-9-3-6-16-7-4-12-24-22(16)20/h1-9,12,15,18H,10-11,13-14H2.
What are the key properties of 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone?
1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone has a molecular weight of 372.42 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 91625324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).