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

C19H11N3O — CID 168747131

IUPAC5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2nc(-c3cnc4c(c3)oc3ncccc34)ccc2c1
InChIInChI=1S/C19H11N3O/c1-2-6-15-12(4-1)7-8-16(22-15)13-10-17-18(21-11-13)14-5-3-9-20-19(14)23-17/h1-11H
InChIKeyBTHBUTZBPDESSB-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

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

5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168747131) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168747131
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2nc(-c3cnc4c(c3)oc3ncccc34)ccc2c1
InChIInChI=1S/C19H11N3O/c1-2-6-15-12(4-1)7-8-16(22-15)13-10-17-18(21-11-13)14-5-3-9-20-19(14)23-17/h1-11H
InChIKeyBTHBUTZBPDESSB-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 5-quinolin-2-yl-8-oxa-3,10-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-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168747011
2-phenyl-[1]benzofuro[2,3-b]pyridine;3-phenyl-[1]benzofuro[3,2-b]pyridine;7-phenyl-[1]benzofuro[2,3-b]pyridine
CID 160907375
N,N-bis[4-(1,3-benzoxazol-2-yl)phenyl]-4-(8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl)aniline
CID 168765489
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
2-phenylquinoline;quinolin-8-ol
CID 159295421
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727
5-quinolin-2-ylpyrimidin-2-amine
CID 112694944
13-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-quinolin-2-yl-8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 168747059
5-[4-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780665
2-(6-pyridin-2-yl-3-pyridinyl)-[1]benzofuro[2,3-b]quinoline
CID 121340944
2-phenyl-6-(2-quinolin-3-ylquinolin-7-yl)quinoline;2-[6-[6-(2-quinolin-2-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164982602
2-[6-[7-(2-quinolin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780760

Frequently Asked Questions

What is the IUPAC name of 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 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) is 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2nc(-c3cnc4c(c3)oc3ncccc34)ccc2c1.
What is the InChIKey of 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is BTHBUTZBPDESSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-2-6-15-12(4-1)7-8-16(22-15)13-10-17-18(21-11-13)14-5-3-9-20-19(14)23-17/h1-11H.
What are the key properties of 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-quinolin-2-yl-8-oxa-3,10-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 5-quinolin-2-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 168747131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).