4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline

C18H12N2S — CID 110170154

IUPAC4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline
SMILESc1ccc(-c2ccc(-c3cncc4ccccc34)s2)nc1
InChIInChI=1S/C18H12N2S/c1-2-6-14-13(5-1)11-19-12-15(14)17-8-9-18(21-17)16-7-3-4-10-20-16/h1-12H
InChIKeyXIGSHOLLYZDTJG-UHFFFAOYSA-N
MW288.38 g/mol
LogP5.03
Rot. Bonds2

About 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline

4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline (PubChem CID 110170154) has the molecular formula C18H12N2S and a molecular weight of 288.38 g/mol. Its IUPAC name is 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline.

Molecular Properties

Compound Name4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline
PubChem CID110170154
Molecular FormulaC18H12N2S
Molecular Weight288.38 g/mol
Exact Mass288.07
IUPAC Name4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline
SMILESc1ccc(-c2ccc(-c3cncc4ccccc34)s2)nc1
InChIInChI=1S/C18H12N2S/c1-2-6-14-13(5-1)11-19-12-15(14)17-8-9-18(21-17)16-7-3-4-10-20-16/h1-12H
InChIKeyXIGSHOLLYZDTJG-UHFFFAOYSA-N
XLogP5.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline 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

2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
4-(3-isoquinolin-4-ylphenyl)-2-pyridin-2-ylquinazoline
CID 167146078
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
4-[2-[3-(10-phenylanthracen-9-yl)phenyl]-6-(2-pyridin-2-ylphenyl)pyrimidin-4-yl]isoquinoline
CID 118314052
4-[4-[4,6-bis(6-pyridin-2-yl-2-pyridinyl)-1,3,5-triazin-2-yl]-2-methylphenyl]isoquinoline
CID 59273800
[3-[2-isoquinolin-4-yl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]boronic acid
CID 123998019
2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
5-isoquinolin-5-ylthiophen-2-amine
CID 164918805
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-naphthalen-1-ylpyridine;quinoxaline
CID 174357892

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline?
The IUPAC name of 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline (CID 110170154) is 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline.
What is the SMILES notation for 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline?
The canonical SMILES for 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline is c1ccc(-c2ccc(-c3cncc4ccccc34)s2)nc1.
What is the InChIKey of 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline?
The InChIKey is XIGSHOLLYZDTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2S/c1-2-6-14-13(5-1)11-19-12-15(14)17-8-9-18(21-17)16-7-3-4-10-20-16/h1-12H.
What are the key properties of 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline?
4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline has a molecular weight of 288.38 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-2-ylthiophen-2-yl)isoquinoline is sourced from PubChem (CID 110170154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).