3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline

C26H16N2S — CID 126560893

IUPAC3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline
SMILESc1ccc(-c2cc3ccc(-c4cnc5c(ccc6ccccc65)c4)cc3s2)nc1
InChIInChI=1S/C26H16N2S/c1-2-6-22-17(5-1)8-11-20-13-21(16-28-26(20)22)18-9-10-19-15-25(29-24(19)14-18)23-7-3-4-12-27-23/h1-16H
InChIKeyCVKSFLDTTZUEMB-UHFFFAOYSA-N
MW388.50 g/mol
LogP7.33
Rot. Bonds2

About 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline

3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline (PubChem CID 126560893) has the molecular formula C26H16N2S and a molecular weight of 388.50 g/mol. Its IUPAC name is 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline.

Molecular Properties

Compound Name3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline
PubChem CID126560893
Molecular FormulaC26H16N2S
Molecular Weight388.50 g/mol
Exact Mass388.10
IUPAC Name3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline
SMILESc1ccc(-c2cc3ccc(-c4cnc5c(ccc6ccccc65)c4)cc3s2)nc1
InChIInChI=1S/C26H16N2S/c1-2-6-22-17(5-1)8-11-20-13-21(16-28-26(20)22)18-9-10-19-15-25(29-24(19)14-18)23-7-3-4-12-27-23/h1-16H
InChIKeyCVKSFLDTTZUEMB-UHFFFAOYSA-N
XLogP7.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline 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

3-(2-pyridin-2-yl-1-benzothiophen-5-yl)benzo[h]quinoline
CID 123584369
3-(3-pyridin-2-ylphenyl)benzo[h]quinoline
CID 176728682
2-(1-benzothiophen-2-yl)pyridine;methanol
CID 143810360
2-[6-(bromomethyl)-1-benzothiophen-2-yl]pyridine
CID 142679353
3-(4-dibenzothiophen-2-ylphenyl)-1,10-phenanthroline
CID 90050319
bis(2-(1-benzothiophen-2-yl)pyridine);iridium(3+);tris(3-oxobutanoate)
CID 174243006
4-(1-benzothiophen-2-yl)-2-pyridin-2-ylpyrimidine
CID 1485413
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
5-(1-benzothiophen-2-yl)-2-[4-(12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaen-7-yl)phenyl]pyridine
CID 167364034
2-(1-benzothiophen-2-yl)-5-[2-[3,5-bis[2-[6-(1-benzothiophen-2-yl)-3-pyridinyl]phenyl]phenyl]phenyl]pyridine
CID 134191374
5-[6-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]-2-pyridin-2-ylpyridine
CID 163823578
7-[6-[2-(1-benzothiophen-2-yl)-1-benzothiophen-6-yl]naphthalen-2-yl]-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
CID 167363981

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline?
The IUPAC name of 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline (CID 126560893) is 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline.
What is the SMILES notation for 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline?
The canonical SMILES for 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline is c1ccc(-c2cc3ccc(-c4cnc5c(ccc6ccccc65)c4)cc3s2)nc1.
What is the InChIKey of 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline?
The InChIKey is CVKSFLDTTZUEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2S/c1-2-6-22-17(5-1)8-11-20-13-21(16-28-26(20)22)18-9-10-19-15-25(29-24(19)14-18)23-7-3-4-12-27-23/h1-16H.
What are the key properties of 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline?
3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline has a molecular weight of 388.50 g/mol, XLogP of 7.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-yl-1-benzothiophen-6-yl)benzo[h]quinoline is sourced from PubChem (CID 126560893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).