2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile

C24H23N3O — CID 88985039

IUPAC2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile
SMILESCCN1c2ccc(-c3cccc(OC)c3)cc2C(C#N)C1c1cccc(N)c1
InChIInChI=1S/C24H23N3O/c1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18/h4-14,22,24H,3,26H2,1-2H3
InChIKeyQHDCENFYLHTTLF-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.13
Rot. Bonds4

About 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile

2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile (PubChem CID 88985039) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile
PubChem CID88985039
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile
SMILESCCN1c2ccc(-c3cccc(OC)c3)cc2C(C#N)C1c1cccc(N)c1
InChIInChI=1S/C24H23N3O/c1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18/h4-14,22,24H,3,26H2,1-2H3
InChIKeyQHDCENFYLHTTLF-UHFFFAOYSA-N
XLogP5.13
TPSA62.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile 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-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile?
The IUPAC name of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile (CID 88985039) is 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile.
What is the SMILES notation for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile?
The canonical SMILES for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile is CCN1c2ccc(-c3cccc(OC)c3)cc2C(C#N)C1c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile?
The InChIKey is QHDCENFYLHTTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-3-27-23-11-10-17(16-6-5-9-20(13-16)28-2)14-21(23)22(15-25)24(27)18-7-4-8-19(26)12-18/h4-14,22,24H,3,26H2,1-2H3.
What are the key properties of 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile?
2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile has a molecular weight of 369.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-ethyl-5-(3-methoxyphenyl)-2,3-dihydroindole-3-carbonitrile is sourced from PubChem (CID 88985039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).