2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine

C19H11N3S — CID 168746424

IUPAC2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine
SMILESc1ccc2nc(-c3ccc4c(n3)sc3ccccc34)cnc2c1
InChIInChI=1S/C19H11N3S/c1-4-8-18-12(5-1)13-9-10-16(22-19(13)23-18)17-11-20-14-6-2-3-7-15(14)21-17/h1-11H
InChIKeyASAWKOZYPHMFJD-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine

2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine (PubChem CID 168746424) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine
PubChem CID168746424
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine
SMILESc1ccc2nc(-c3ccc4c(n3)sc3ccccc34)cnc2c1
InChIInChI=1S/C19H11N3S/c1-4-8-18-12(5-1)13-9-10-16(22-19(13)23-18)17-11-20-14-6-2-3-7-15(14)21-17/h1-11H
InChIKeyASAWKOZYPHMFJD-UHFFFAOYSA-N
XLogP5.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.38
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine 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-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinoxalin-2-yl]-[1]benzothiolo[2,3-b]pyridine
CID 168746965
2-(3-methyl-1-benzothiophen-2-yl)quinoxaline
CID 14099248
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
2-(5-methylthiophen-2-yl)quinoxaline
CID 10680762
3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 152541674
4-([1]benzothiolo[2,3-b]pyridin-2-yl)-N,N-bis(4-isoquinolin-3-ylphenyl)aniline
CID 168765745
2-(5-bromo-2-pyridinyl)quinoxaline
CID 162515253
11-isoquinolin-3-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168747147
N-[4-([1]benzothiolo[2,3-b]pyridin-2-yl)phenyl]-4-quinazolin-7-yl-N-(4-quinazolin-7-ylphenyl)aniline
CID 168765554
2-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4-ylquinoxaline
CID 134529429
5-(8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-11-yl)-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 167165702
2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzothiolo[2,3-b]pyridine
CID 168745843

Frequently Asked Questions

What is the IUPAC name of 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine?
The IUPAC name of 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine (CID 168746424) is 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine.
What is the SMILES notation for 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine?
The canonical SMILES for 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine is c1ccc2nc(-c3ccc4c(n3)sc3ccccc34)cnc2c1.
What is the InChIKey of 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is ASAWKOZYPHMFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-4-8-18-12(5-1)13-9-10-16(22-19(13)23-18)17-11-20-14-6-2-3-7-15(14)21-17/h1-11H.
What are the key properties of 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine?
2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 313.38 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinoxalin-2-yl-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 168746424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).