9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine

C19H11N3S — CID 168746738

IUPAC9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cnc2c(-c3cccc4sc5nccnc5c34)cccc2c1
InChIInChI=1S/C19H11N3S/c1-4-12-5-3-9-20-17(12)14(7-1)13-6-2-8-15-16(13)18-19(23-15)22-11-10-21-18/h1-11H
InChIKeyAXDKSKCQQYDYLR-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine

9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine (PubChem CID 168746738) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine.

Molecular Properties

Compound Name9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine
PubChem CID168746738
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine
SMILESc1cnc2c(-c3cccc4sc5nccnc5c34)cccc2c1
InChIInChI=1S/C19H11N3S/c1-4-12-5-3-9-20-17(12)14(7-1)13-6-2-8-15-16(13)18-19(23-15)22-11-10-21-18/h1-11H
InChIKeyAXDKSKCQQYDYLR-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

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Related Compounds

9-(1,6-naphthyridin-7-yl)-[1]benzothiolo[3,2-b]pyridine
CID 168746906
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
5-methyl-4-quinolin-8-ylthieno[2,3-d]pyrimidine
CID 39733185
4-quinolin-8-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 168746995
3-amino-4-quinolin-8-ylthieno[2,3-c]pyridine-2-carboxamide
CID 134168387
CID 58385596
CID 58385596
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iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);ruthenium
CID 15001085
europium;1,10-phenanthroline
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CID 70430219

Frequently Asked Questions

What is the IUPAC name of 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine?
The IUPAC name of 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine (CID 168746738) is 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine.
What is the SMILES notation for 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine?
The canonical SMILES for 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine is c1cnc2c(-c3cccc4sc5nccnc5c34)cccc2c1.
What is the InChIKey of 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine?
The InChIKey is AXDKSKCQQYDYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-4-12-5-3-9-20-17(12)14(7-1)13-6-2-8-15-16(13)18-19(23-15)22-11-10-21-18/h1-11H.
What are the key properties of 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine?
9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine 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 9-quinolin-8-yl-[1]benzothiolo[2,3-b]pyrazine is sourced from PubChem (CID 168746738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).