12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

C19H11N3O — CID 168745905

IUPAC12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
SMILESc1cnc2c(-c3cc4c(cn3)oc3cccnc34)cccc2c1
InChIInChI=1S/C19H11N3O/c1-4-12-5-2-8-20-18(12)13(6-1)15-10-14-17(11-22-15)23-16-7-3-9-21-19(14)16/h1-11H
InChIKeySUPMIUCOMKOIOJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

About 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene

12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (PubChem CID 168745905) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.

Molecular Properties

Compound Name12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
PubChem CID168745905
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
SMILESc1cnc2c(-c3cc4c(cn3)oc3cccnc34)cccc2c1
InChIInChI=1S/C19H11N3O/c1-4-12-5-2-8-20-18(12)13(6-1)15-10-14-17(11-22-15)23-16-7-3-9-21-19(14)16/h1-11H
InChIKeySUPMIUCOMKOIOJ-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 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene with MolForge

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Related Compounds

11-quinolin-8-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 168746542
4-dibenzofuran-4-yl-8,16-dioxa-5-azatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2,4,6,10,12,14-heptaene
CID 162500362
8-pyridin-2-ylquinoline
CID 10982041
8-(6-iodopyrimidin-4-yl)quinoline
CID 51355843
CID 90291971
CID 90291971
8-[6-[6-[8-([1]benzofuro[3,2-b]pyridin-8-yl)dibenzofuran-2-yl]-2-pyridinyl]-2-pyridinyl]-[1]benzofuro[3,2-b]pyridine;ethane
CID 144553631
europium;1,10-phenanthroline
CID 20606755
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168745979
11-oxa-3-azatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaene
CID 70245532
8-[3-[4-[3-[3-([1]benzofuro[3,2-b]pyridin-8-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265570
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042

Frequently Asked Questions

What is the IUPAC name of 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The IUPAC name of 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene (CID 168745905) is 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene.
What is the SMILES notation for 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The canonical SMILES for 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is c1cnc2c(-c3cc4c(cn3)oc3cccnc34)cccc2c1.
What is the InChIKey of 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
The InChIKey is SUPMIUCOMKOIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-4-12-5-2-8-20-18(12)13(6-1)15-10-14-17(11-22-15)23-16-7-3-9-21-19(14)16/h1-11H.
What are the key properties of 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene?
12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-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 12-quinolin-8-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene is sourced from PubChem (CID 168745905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).