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

C19H11N3O — CID 168745979

IUPAC10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2cc(-c3nccc4c3oc3cccnc34)ncc2c1
InChIInChI=1S/C19H11N3O/c1-2-5-13-11-22-15(10-12(13)4-1)18-19-14(7-9-21-18)17-16(23-19)6-3-8-20-17/h1-11H
InChIKeySXBZMZAQVRZOTG-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

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

10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168745979) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168745979
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2cc(-c3nccc4c3oc3cccnc34)ncc2c1
InChIInChI=1S/C19H11N3O/c1-2-5-13-11-22-15(10-12(13)4-1)18-19-14(7-9-21-18)17-16(23-19)6-3-8-20-17/h1-11H
InChIKeySXBZMZAQVRZOTG-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 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Related Compounds

17-oxa-12-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 138661052
1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
12-isoquinolin-3-yl-8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 168746653
1-isoquinolin-3-yl-[1]benzothiolo[2,3-c]pyridine
CID 168745873
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
2-deuterio-15-(3,5-dimethylphenyl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 176749058
6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 155101137
2-(1,6-naphthyridin-7-yl)-[1]benzofuro[3,2-b]pyridine
CID 168746362
14-[3-[6-(1,10-phenanthrolin-4-yl)isoquinolin-3-yl]phenyl]-3-oxa-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 146408755
1-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-1-yl]-[1]benzofuro[2,3-c]pyridine
CID 168747076
1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 118245530
13-isoquinolin-1-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 168746506

Frequently Asked Questions

What is the IUPAC name of 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 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) is 10-isoquinolin-3-yl-8-oxa-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-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2cc(-c3nccc4c3oc3cccnc34)ncc2c1.
What is the InChIKey of 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is SXBZMZAQVRZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-2-5-13-11-22-15(10-12(13)4-1)18-19-14(7-9-21-18)17-16(23-19)6-3-8-20-17/h1-11H.
What are the key properties of 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
10-isoquinolin-3-yl-8-oxa-3,11-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 10-isoquinolin-3-yl-8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 168745979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).