1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

C23H29NO3 — CID 16549718

IUPAC1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCC2CCCCC21
InChIInChI=1S/C23H29NO3/c25-23(24-13-5-7-16-6-1-3-9-20(16)24)15-26-17-11-12-22-19(14-17)18-8-2-4-10-21(18)27-22/h11-12,14,16,20H,1-10,13,15H2
InChIKeyRLMYTEHLMLQBRO-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.87
Rot. Bonds3

About 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone (PubChem CID 16549718) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
PubChem CID16549718
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
SMILESO=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCC2CCCCC21
InChIInChI=1S/C23H29NO3/c25-23(24-13-5-7-16-6-1-3-9-20(16)24)15-26-17-11-12-22-19(14-17)18-8-2-4-10-21(18)27-22/h11-12,14,16,20H,1-10,13,15H2
InChIKeyRLMYTEHLMLQBRO-UHFFFAOYSA-N
XLogP4.87
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone with MolForge

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Related Compounds

1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86913342
7-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]chromen-2-one
CID 8882275
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetate
CID 55371141
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-iodophenoxy)ethanone
CID 55339057
1-(4-pyridin-4-ylpiperazin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 9048368
4-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethoxy]benzamide
CID 8566227
1-(3-pyrazol-1-ylpiperidin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone
CID 86881851
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(4-aminophenoxy)ethanone
CID 61028305
N,N-dimethyl-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 46652492
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 9491852
N-[2-[[2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 55806512
N-[[(3S)-piperidin-3-yl]methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 99626862

Frequently Asked Questions

What is the IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The IUPAC name of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone (CID 16549718) is 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone.
What is the SMILES notation for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The canonical SMILES for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone is O=C(COc1ccc2oc3c(c2c1)CCCC3)N1CCCC2CCCCC21.
What is the InChIKey of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
The InChIKey is RLMYTEHLMLQBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c25-23(24-13-5-7-16-6-1-3-9-20(16)24)15-26-17-11-12-22-19(14-17)18-8-2-4-10-21(18)27-22/h11-12,14,16,20H,1-10,13,15H2.
What are the key properties of 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone?
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone has a molecular weight of 367.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)ethanone is sourced from PubChem (CID 16549718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).