3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile

C24H14N2OS — CID 139234262

IUPAC3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccc(-c3ccccc3)s2)n2ccc3ccccc3c12
InChIInChI=1S/C24H14N2OS/c25-15-18-14-20(26-13-12-16-6-4-5-9-19(16)23(18)26)24(27)22-11-10-21(28-22)17-7-2-1-3-8-17/h1-14H
InChIKeyRIETUIVHZLSKFW-UHFFFAOYSA-N
MW378.46 g/mol
LogP5.92
Rot. Bonds3

About 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile

3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile (PubChem CID 139234262) has the molecular formula C24H14N2OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile.

Molecular Properties

Compound Name3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
PubChem CID139234262
Molecular FormulaC24H14N2OS
Molecular Weight378.46 g/mol
Exact Mass378.08
IUPAC Name3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
SMILESN#Cc1cc(C(=O)c2ccc(-c3ccccc3)s2)n2ccc3ccccc3c12
InChIInChI=1S/C24H14N2OS/c25-15-18-14-20(26-13-12-16-6-4-5-9-19(16)23(18)26)24(27)22-11-10-21(28-22)17-7-2-1-3-8-17/h1-14H
InChIKeyRIETUIVHZLSKFW-UHFFFAOYSA-N
XLogP5.92
TPSA45.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.46
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 3-[5-(4-methoxyphenyl)thiophene-2-carbonyl]pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234271
1-cyano-N-(2,5-dimethylphenyl)pyrrolo[2,1-a]isoquinoline-3-carboxamide
CID 3731915
ethyl 3-(5-thiophen-3-ylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234273
3-benzoyl-2-hydroxypyrrolo[2,1-a]isoquinoline-1-carbonitrile
CID 136693997
ethyl 3-(5-bromothiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 139234268
1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
CID 164946208
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
phenyl-[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methanone
CID 135016793
5-phenylthiophene-2-carbothioate
CID 86737927
1-[3-(3,4,5-trimethoxybenzoyl)pyrrolo[2,1-a]isoquinolin-1-yl]ethanone
CID 171714424
2-(4-cyanonaphthalen-2-yl)-1,3-thiazole-5-carboxylic acid
CID 45257153
2-[[5-(4-methylphenyl)thiophen-2-yl]-phenylmethylidene]propanedinitrile
CID 43833576

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The IUPAC name of 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile (CID 139234262) is 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile.
What is the SMILES notation for 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The canonical SMILES for 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is N#Cc1cc(C(=O)c2ccc(-c3ccccc3)s2)n2ccc3ccccc3c12.
What is the InChIKey of 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
The InChIKey is RIETUIVHZLSKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2OS/c25-15-18-14-20(26-13-12-16-6-4-5-9-19(16)23(18)26)24(27)22-11-10-21(28-22)17-7-2-1-3-8-17/h1-14H.
What are the key properties of 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile?
3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile has a molecular weight of 378.46 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylthiophene-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile is sourced from PubChem (CID 139234262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).