2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone

C21H22N2O — CID 9248225

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
SMILESCCc1cccc2c(C(=O)CN3CCc4ccccc4C3)c[nH]c12
InChIInChI=1S/C21H22N2O/c1-2-15-8-5-9-18-19(12-22-21(15)18)20(24)14-23-11-10-16-6-3-4-7-17(16)13-23/h3-9,12,22H,2,10-11,13-14H2,1H3
InChIKeySPNYAYOSESAXOI-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.97
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone (PubChem CID 9248225) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
PubChem CID9248225
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
SMILESCCc1cccc2c(C(=O)CN3CCc4ccccc4C3)c[nH]c12
InChIInChI=1S/C21H22N2O/c1-2-15-8-5-9-18-19(12-22-21(15)18)20(24)14-23-11-10-16-6-3-4-7-17(16)13-23/h3-9,12,22H,2,10-11,13-14H2,1H3
InChIKeySPNYAYOSESAXOI-UHFFFAOYSA-N
XLogP3.97
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone (CID 9248225) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone is CCc1cccc2c(C(=O)CN3CCc4ccccc4C3)c[nH]c12.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone?
The InChIKey is SPNYAYOSESAXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-15-8-5-9-18-19(12-22-21(15)18)20(24)14-23-11-10-16-6-3-4-7-17(16)13-23/h3-9,12,22H,2,10-11,13-14H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone has a molecular weight of 318.42 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone is sourced from PubChem (CID 9248225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).