4-anilinothieno[3,2-c]quinoline-7-carbonitrile

C18H11N3S — CID 50941655

IUPAC4-anilinothieno[3,2-c]quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12
InChIInChI=1S/C18H11N3S/c19-11-12-6-7-14-16(10-12)21-18(15-8-9-22-17(14)15)20-13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKeyYAVSHDIJXOTQSY-UHFFFAOYSA-N
MW301.37 g/mol
LogP5.06
Rot. Bonds2

About 4-anilinothieno[3,2-c]quinoline-7-carbonitrile

4-anilinothieno[3,2-c]quinoline-7-carbonitrile (PubChem CID 50941655) has the molecular formula C18H11N3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-anilinothieno[3,2-c]quinoline-7-carbonitrile.

Molecular Properties

Compound Name4-anilinothieno[3,2-c]quinoline-7-carbonitrile
PubChem CID50941655
Molecular FormulaC18H11N3S
Molecular Weight301.37 g/mol
Exact Mass301.07
IUPAC Name4-anilinothieno[3,2-c]quinoline-7-carbonitrile
SMILESN#Cc1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12
InChIInChI=1S/C18H11N3S/c19-11-12-6-7-14-16(10-12)21-18(15-8-9-22-17(14)15)20-13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKeyYAVSHDIJXOTQSY-UHFFFAOYSA-N
XLogP5.06
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.37
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-anilinothieno[3,2-c]quinoline-7-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-anilinothieno[3,2-c]quinoline-7-carbonitrile?
The IUPAC name of 4-anilinothieno[3,2-c]quinoline-7-carbonitrile (CID 50941655) is 4-anilinothieno[3,2-c]quinoline-7-carbonitrile.
What is the SMILES notation for 4-anilinothieno[3,2-c]quinoline-7-carbonitrile?
The canonical SMILES for 4-anilinothieno[3,2-c]quinoline-7-carbonitrile is N#Cc1ccc2c(c1)nc(Nc1ccccc1)c1ccsc12.
What is the InChIKey of 4-anilinothieno[3,2-c]quinoline-7-carbonitrile?
The InChIKey is YAVSHDIJXOTQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3S/c19-11-12-6-7-14-16(10-12)21-18(15-8-9-22-17(14)15)20-13-4-2-1-3-5-13/h1-10H,(H,20,21).
What are the key properties of 4-anilinothieno[3,2-c]quinoline-7-carbonitrile?
4-anilinothieno[3,2-c]quinoline-7-carbonitrile has a molecular weight of 301.37 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilinothieno[3,2-c]quinoline-7-carbonitrile is sourced from PubChem (CID 50941655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).