3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile

C20H23N3 — CID 54077340

IUPAC3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile
SMILESCCC1(CCC#N)CCCN2CCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C20H23N3/c1-2-20(10-5-12-21)11-6-13-23-14-9-16-15-7-3-4-8-17(15)22-18(16)19(20)23/h3-4,7-8H,2,5-6,9-11,13-14H2,1H3
InChIKeyMKQDFJBEGGDTDZ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.88
Rot. Bonds3

About 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile

3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile (PubChem CID 54077340) has the molecular formula C20H23N3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile
PubChem CID54077340
Molecular FormulaC20H23N3
Molecular Weight305.42 g/mol
Exact Mass305.19
IUPAC Name3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile
SMILESCCC1(CCC#N)CCCN2CCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C20H23N3/c1-2-20(10-5-12-21)11-6-13-23-14-9-16-15-7-3-4-8-17(15)22-18(16)19(20)23/h3-4,7-8H,2,5-6,9-11,13-14H2,1H3
InChIKeyMKQDFJBEGGDTDZ-UHFFFAOYSA-N
XLogP2.88
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-Methyloctahydroindolo[2,3-a]quinolizine
CID 129734677
1-Butyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 20328276
(1-Ethyl-1,2,3,4,6,7-hexahydro-indolo[2,3-a]quinolizin-1-yl)-propionitrile
CID 21399508
1'-Ethylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 56984596
1'-Propylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 56987228
1'-Methylspiro[1,4-dihydroindolo[3,2-c]quinoline-6,4'-piperidine]
CID 57030538
1-Ethyl-1,2,3,4,6,7,7a,7b-octahydroindolo[2,3-a]quinolizine
CID 70379153
1-Ethyl-1,2,3,4,6,7-hexahydroindolo[2,3-a]quinolizine
CID 88462183
1-Ethyl-1-cyano-5.12b-didehydro-indolo(2,3-a)quinolizidinium perchlorate
CID 131712854
2-(1-Ethyl-2,3,4,5,6,7-hexahydroindolo[2,3-a]quinolizin-5-ium-1-yl)propanenitrile
CID 150787859
ethene;2-[(1E,3E,5E,7Z)-7-[(4E)-1-hexyl-3,3-dimethyl-5-methylidene-4-prop-2-enylideneindol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethyl-3-propyl-7,8-dihydrobenzo[e]indol-3-ium;prop-1-ene
CID 156792969
6-(5,11-Dimethylpyrido[3,4-b]carbazol-2-yl)hexanenitrile
CID 102343630

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
The IUPAC name of 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile (CID 54077340) is 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile.
What is the SMILES notation for 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
The canonical SMILES for 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile is CCC1(CCC#N)CCCN2CCC3=c4ccccc4=NC3=C21.
What is the InChIKey of 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
The InChIKey is MKQDFJBEGGDTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-2-20(10-5-12-21)11-6-13-23-14-9-16-15-7-3-4-8-17(15)22-18(16)19(20)23/h3-4,7-8H,2,5-6,9-11,13-14H2,1H3.
What are the key properties of 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile has a molecular weight of 305.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile is sourced from PubChem (CID 54077340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).