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

C19H11N3O — CID 168746306

IUPAC4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2nc(-c3ccc4oc5ccncc5c4n3)ccc2c1
InChIInChI=1S/C19H11N3O/c1-2-4-14-12(3-1)5-6-15(21-14)16-7-8-18-19(22-16)13-11-20-10-9-17(13)23-18/h1-11H
InChIKeyWFGCZDXQZYUEGQ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

About 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168746306) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168746306
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2nc(-c3ccc4oc5ccncc5c4n3)ccc2c1
InChIInChI=1S/C19H11N3O/c1-2-4-14-12(3-1)5-6-15(21-14)16-7-8-18-19(22-16)13-11-20-10-9-17(13)23-18/h1-11H
InChIKeyWFGCZDXQZYUEGQ-UHFFFAOYSA-N
XLogP4.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

5,10-di(quinolin-2-yl)benzo[g]isoquinoline
CID 59183077
2-(1,6-naphthyridin-7-yl)-[1]benzofuro[3,2-b]pyridine
CID 168746362
2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 70205602
ethane;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 123551658
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
2-quinolin-2-ylbenzo[b][1,10]phenanthroline
CID 11371746
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
11-(3-quinolin-2-ylphenyl)phenanthro[9,10-c]pyridine
CID 59575326
2-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140769
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168747131
2-[4-[4-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-1,9-phenanthroline
CID 164945027

Frequently Asked Questions

What is the IUPAC name of 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 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) is 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2nc(-c3ccc4oc5ccncc5c4n3)ccc2c1.
What is the InChIKey of 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is WFGCZDXQZYUEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-2-4-14-12(3-1)5-6-15(21-14)16-7-8-18-19(22-16)13-11-20-10-9-17(13)23-18/h1-11H.
What are the key properties of 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 297.32 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-quinolin-2-yl-8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 168746306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).