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

C19H11N3O — CID 168747011

IUPAC5-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(-c3cnc4c(c3)oc3ncccc34)nccc2c1
InChIInChI=1S/C19H11N3O/c1-2-5-14-12(4-1)7-9-20-17(14)13-10-16-18(22-11-13)15-6-3-8-21-19(15)23-16/h1-11H
InChIKeyZMRPSIGFIKEMIA-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

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

5-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 168747011) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-isoquinolin-1-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-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID168747011
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name5-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc2c(-c3cnc4c(c3)oc3ncccc34)nccc2c1
InChIInChI=1S/C19H11N3O/c1-2-5-14-12(4-1)7-9-20-17(14)13-10-16-18(22-11-13)15-6-3-8-21-19(15)23-16/h1-11H
InChIKeyZMRPSIGFIKEMIA-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-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
carbanide;iridium;1-phenylisoquinoline
CID 166502152
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
3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine
CID 168745893
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
1-(4-pyridin-2-ylphenyl)isoquinoline
CID 58947156
1-(4-ethylphenyl)isoquinoline
CID 58184660
2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline
CID 70207772
1-(7-fluorodibenzofuran-4-yl)isoquinoline
CID 164797559
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
7-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]pyridine
CID 166802118

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-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-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) is 5-isoquinolin-1-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-isoquinolin-1-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-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc2c(-c3cnc4c(c3)oc3ncccc34)nccc2c1.
What is the InChIKey of 5-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is ZMRPSIGFIKEMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-2-5-14-12(4-1)7-9-20-17(14)13-10-16-18(22-11-13)15-6-3-8-21-19(15)23-16/h1-11H.
What are the key properties of 5-isoquinolin-1-yl-8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
5-isoquinolin-1-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-isoquinolin-1-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 168747011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).