10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C19H11N3S — CID 168746501

IUPAC10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2nc(-c3nccc4c3sc3cccnc34)ccc2c1
InChIInChI=1S/C19H11N3S/c1-2-5-14-12(4-1)7-8-15(22-14)18-19-13(9-11-21-18)17-16(23-19)6-3-10-20-17/h1-11H
InChIKeyJGLJEMDMSQRSRP-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168746501) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168746501
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2nc(-c3nccc4c3sc3cccnc34)ccc2c1
InChIInChI=1S/C19H11N3S/c1-2-5-14-12(4-1)7-8-15(22-14)18-19-13(9-11-21-18)17-16(23-19)6-3-10-20-17/h1-11H
InChIKeyJGLJEMDMSQRSRP-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 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene 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-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
1,10-phenanthroline;2-pyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium(2+)
CID 138986830
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
1-isoquinolin-3-yl-[1]benzothiolo[2,3-c]pyridine
CID 168745873
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
[1]benzothiolo[3,2-b]pyridine
CID 174218515
5-pyridin-2-yl-2-quinolin-2-yl-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 102047638
1-naphthalen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 176651602
2-quinolin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 168746769
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
[1]benzothiolo[3,2-b]pyridine;pyridine
CID 158699365
2-phenylquinoline;quinolin-8-ol
CID 159295421

Frequently Asked Questions

What is the IUPAC name of 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 168746501) is 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2nc(-c3nccc4c3sc3cccnc34)ccc2c1.
What is the InChIKey of 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is JGLJEMDMSQRSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-2-5-14-12(4-1)7-8-15(22-14)18-19-13(9-11-21-18)17-16(23-19)6-3-10-20-17/h1-11H.
What are the key properties of 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene 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 10-quinolin-2-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 168746501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).