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

C20H23N3 — CID 21399508

IUPAC2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile
SMILESCCC1(C(C)C#N)CCCN2CCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C20H23N3/c1-3-20(14(2)13-21)10-6-11-23-12-9-16-15-7-4-5-8-17(15)22-18(16)19(20)23/h4-5,7-8,14H,3,6,9-12H2,1-2H3
InChIKeyKDFPBDJOFBAOLP-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.74
Rot. Bonds2

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

2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile (PubChem CID 21399508) has the molecular formula C20H23N3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile
PubChem CID21399508
Molecular FormulaC20H23N3
Molecular Weight305.42 g/mol
Exact Mass305.19
IUPAC Name2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile
SMILESCCC1(C(C)C#N)CCCN2CCC3=c4ccccc4=NC3=C21
InChIInChI=1S/C20H23N3/c1-3-20(14(2)13-21)10-6-11-23-12-9-16-15-7-4-5-8-17(15)22-18(16)19(20)23/h4-5,7-8,14H,3,6,9-12H2,1-2H3
InChIKeyKDFPBDJOFBAOLP-UHFFFAOYSA-N
XLogP2.74
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
The IUPAC name of 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile (CID 21399508) is 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile.
What is the SMILES notation for 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
The canonical SMILES for 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile is CCC1(C(C)C#N)CCCN2CCC3=c4ccccc4=NC3=C21.
What is the InChIKey of 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
The InChIKey is KDFPBDJOFBAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-3-20(14(2)13-21)10-6-11-23-12-9-16-15-7-4-5-8-17(15)22-18(16)19(20)23/h4-5,7-8,14H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile?
2-(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 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-3,4,6,7-tetrahydro-2H-indolo[2,3-a]quinolizin-1-yl)propanenitrile is sourced from PubChem (CID 21399508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).