5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C19H11N3S — CID 168746572

IUPAC5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc2nc(-c3cc4sc5cnccc5c4cn3)ccc2c1
InChIInChI=1S/C19H11N3S/c1-2-4-15-12(3-1)5-6-16(22-15)17-9-18-14(10-21-17)13-7-8-20-11-19(13)23-18/h1-11H
InChIKeyHMLPGQGZRIIVRN-UHFFFAOYSA-N
MW313.38 g/mol
LogP5.06
Rot. Bonds1

About 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 168746572) has the molecular formula C19H11N3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID168746572
Molecular FormulaC19H11N3S
Molecular Weight313.38 g/mol
Exact Mass313.07
IUPAC Name5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESc1ccc2nc(-c3cc4sc5cnccc5c4cn3)ccc2c1
InChIInChI=1S/C19H11N3S/c1-2-4-15-12(3-1)5-6-16(22-15)17-9-18-14(10-21-17)13-7-8-20-11-19(13)23-18/h1-11H
InChIKeyHMLPGQGZRIIVRN-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 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

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
17-thia-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 156501515
12-isoquinolin-3-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746887
5,10-di(quinolin-2-yl)benzo[g]isoquinoline
CID 59183077
2-quinolin-2-ylthieno[3,2-b]pyridine
CID 171365776
4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168746306
ethane;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123231832
[1]benzothiolo[2,3-c]pyridin-7-amine
CID 118861170
11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575326
2-quinolin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 168746769
5-isoquinolin-3-yl-8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 168745971
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 168746572) is 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is c1ccc2nc(-c3cc4sc5cnccc5c4cn3)ccc2c1.
What is the InChIKey of 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is HMLPGQGZRIIVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3S/c1-2-4-15-12(3-1)5-6-16(22-15)17-9-18-14(10-21-17)13-7-8-20-11-19(13)23-18/h1-11H.
What are the key properties of 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-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 5-quinolin-2-yl-8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 168746572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).