1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile

C19H18N2O — CID 70859124

IUPAC1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(C)cc2)c(C#N)c2cc(OC)ccc21
InChIInChI=1S/C19H18N2O/c1-4-21-18-10-9-15(22-3)11-16(18)17(12-20)19(21)14-7-5-13(2)6-8-14/h5-11H,4H2,1-3H3
InChIKeySYASANCZVQOVFI-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.52
Rot. Bonds3

About 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile

1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile (PubChem CID 70859124) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
PubChem CID70859124
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile
SMILESCCn1c(-c2ccc(C)cc2)c(C#N)c2cc(OC)ccc21
InChIInChI=1S/C19H18N2O/c1-4-21-18-10-9-15(22-3)11-16(18)17(12-20)19(21)14-7-5-13(2)6-8-14/h5-11H,4H2,1-3H3
InChIKeySYASANCZVQOVFI-UHFFFAOYSA-N
XLogP4.52
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-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 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile?
The IUPAC name of 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile (CID 70859124) is 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile.
What is the SMILES notation for 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile?
The canonical SMILES for 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile is CCn1c(-c2ccc(C)cc2)c(C#N)c2cc(OC)ccc21.
What is the InChIKey of 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile?
The InChIKey is SYASANCZVQOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-4-21-18-10-9-15(22-3)11-16(18)17(12-20)19(21)14-7-5-13(2)6-8-14/h5-11H,4H2,1-3H3.
What are the key properties of 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile?
1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile has a molecular weight of 290.37 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methoxy-2-(4-methylphenyl)indole-3-carbonitrile is sourced from PubChem (CID 70859124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).