3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane

C24H23NO3 — CID 142700390

IUPAC3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane
SMILESC1=C(c2cc3ccccc3o2)Cc2ccc(OC3CC4CCC(C3)N4)cc2O1
InChIInChI=1S/C24H23NO3/c1-2-4-22-15(3-1)10-24(28-22)17-9-16-5-8-20(13-23(16)26-14-17)27-21-11-18-6-7-19(12-21)25-18/h1-5,8,10,13-14,18-19,21,25H,6-7,9,11-12H2
InChIKeyADCSMZLSSYIKOV-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.07
Rot. Bonds3

About 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane

3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane (PubChem CID 142700390) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane
PubChem CID142700390
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane
SMILESC1=C(c2cc3ccccc3o2)Cc2ccc(OC3CC4CCC(C3)N4)cc2O1
InChIInChI=1S/C24H23NO3/c1-2-4-22-15(3-1)10-24(28-22)17-9-16-5-8-20(13-23(16)26-14-17)27-21-11-18-6-7-19(12-21)25-18/h1-5,8,10,13-14,18-19,21,25H,6-7,9,11-12H2
InChIKeyADCSMZLSSYIKOV-UHFFFAOYSA-N
XLogP5.07
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-3-phenylchromen-2-one
CID 87521157
3-[7-(8-azabicyclo[3.2.1]octan-3-yloxy)-1-benzofuran-2-yl]chromen-2-one
CID 24999170
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3,4-dihydrochromen-2-one;hydrochloride
CID 176936725
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methylchromen-2-one
CID 75274769
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]chromen-2-one
CID 25058418
7-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]chromen-2-one;hydrochloride
CID 25058417
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-ethylchromen-2-one;hydrochloride
CID 56596869
3-[(3-chloro-4H-chromen-7-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane
CID 141183919
7-(8-azabicyclo[3.2.1]octan-3-yloxy)-3-methyl-3,4-dihydrochromen-2-one
CID 140579472
(1R,5S)-3-(1-benzofuran-5-yloxy)-9-azabicyclo[3.3.1]nonane
CID 58878551
(1S,5R)-3-(6-methoxynaphthalen-2-yl)oxy-8-azabicyclo[3.2.1]octane;hydrochloride
CID 66721903
7-[[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-4-methyl-3-phenylchromen-2-one
CID 24989396

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane (CID 142700390) is 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane is C1=C(c2cc3ccccc3o2)Cc2ccc(OC3CC4CCC(C3)N4)cc2O1.
What is the InChIKey of 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is ADCSMZLSSYIKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-2-4-22-15(3-1)10-24(28-22)17-9-16-5-8-20(13-23(16)26-14-17)27-21-11-18-6-7-19(12-21)25-18/h1-5,8,10,13-14,18-19,21,25H,6-7,9,11-12H2.
What are the key properties of 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane?
3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 373.45 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1-benzofuran-2-yl)-4H-chromen-7-yl]oxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 142700390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).