4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile

C19H17N3 — CID 68994555

IUPAC4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile
SMILESCN1Cc2ccccc2C(C#N)(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H17N3/c1-22-11-15-7-2-4-8-16(15)19(12-20,13-22)18-10-14-6-3-5-9-17(14)21-18/h2-10,21H,11,13H2,1H3
InChIKeyLUVUJNFZHPMJHW-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.42
Rot. Bonds1

About 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile

4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile (PubChem CID 68994555) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile
PubChem CID68994555
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile
SMILESCN1Cc2ccccc2C(C#N)(c2cc3ccccc3[nH]2)C1
InChIInChI=1S/C19H17N3/c1-22-11-15-7-2-4-8-16(15)19(12-20,13-22)18-10-14-6-3-5-9-17(14)21-18/h2-10,21H,11,13H2,1H3
InChIKeyLUVUJNFZHPMJHW-UHFFFAOYSA-N
XLogP3.42
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-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 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile?
The IUPAC name of 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile (CID 68994555) is 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile.
What is the SMILES notation for 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile?
The canonical SMILES for 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile is CN1Cc2ccccc2C(C#N)(c2cc3ccccc3[nH]2)C1.
What is the InChIKey of 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile?
The InChIKey is LUVUJNFZHPMJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-22-11-15-7-2-4-8-16(15)19(12-20,13-22)18-10-14-6-3-5-9-17(14)21-18/h2-10,21H,11,13H2,1H3.
What are the key properties of 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile?
4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-2-yl)-2-methyl-1,3-dihydroisoquinoline-4-carbonitrile is sourced from PubChem (CID 68994555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).