3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane

C22H32N2O — CID 90983574

IUPAC3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
SMILESCC.O=C(CCC1CCN2CCCCC2C1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O.C2H6/c23-20(18-14-21-19-7-2-1-6-17(18)19)9-8-15-10-12-22-11-4-3-5-16(22)13-15;1-2/h1-2,6-7,14-16,21H,3-5,8-13H2;1-2H3
InChIKeyRKXOEPPCCPYQTO-UHFFFAOYSA-N
MW340.51 g/mol
LogP5.42
Rot. Bonds4

About 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane

3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane (PubChem CID 90983574) has the molecular formula C22H32N2O and a molecular weight of 340.51 g/mol. Its IUPAC name is 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane.

Molecular Properties

Compound Name3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
PubChem CID90983574
Molecular FormulaC22H32N2O
Molecular Weight340.51 g/mol
Exact Mass340.25
IUPAC Name3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane
SMILESCC.O=C(CCC1CCN2CCCCC2C1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H26N2O.C2H6/c23-20(18-14-21-19-7-2-1-6-17(18)19)9-8-15-10-12-22-11-4-3-5-16(22)13-15;1-2/h1-2,6-7,14-16,21H,3-5,8-13H2;1-2H3
InChIKeyRKXOEPPCCPYQTO-UHFFFAOYSA-N
XLogP5.42
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane with MolForge

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Related Compounds

3-cyclohexyl-1-(1H-indol-3-yl)propan-1-one
CID 43339260
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
2-(1H-indol-3-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 152768012
N-(1-cyclohexylpyrrolidin-3-yl)-1H-indole-3-carboxamide
CID 167818595
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 115648322
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
4-(4-aminopiperidin-1-yl)-1-(1H-indol-3-yl)butan-1-one;dihydrochloride
CID 21394682
cyclopentyl(1H-indol-3-yl)methanone
CID 14069740

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane?
The IUPAC name of 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane (CID 90983574) is 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane.
What is the SMILES notation for 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane?
The canonical SMILES for 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane is CC.O=C(CCC1CCN2CCCCC2C1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane?
The InChIKey is RKXOEPPCCPYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.C2H6/c23-20(18-14-21-19-7-2-1-6-17(18)19)9-8-15-10-12-22-11-4-3-5-16(22)13-15;1-2/h1-2,6-7,14-16,21H,3-5,8-13H2;1-2H3.
What are the key properties of 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane?
3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane has a molecular weight of 340.51 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl)-1-(1H-indol-3-yl)propan-1-one;ethane is sourced from PubChem (CID 90983574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).