3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine

C19H11N3O — CID 168745893

IUPAC3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine
SMILESc1ccc2c(-c3cc4oc5ccccc5c4nn3)nccc2c1
InChIInChI=1S/C19H11N3O/c1-2-6-13-12(5-1)9-10-20-18(13)15-11-17-19(22-21-15)14-7-3-4-8-16(14)23-17/h1-11H
InChIKeyKKLWDYQGGWBCNL-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.59
Rot. Bonds1

About 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine

3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine (PubChem CID 168745893) has the molecular formula C19H11N3O and a molecular weight of 297.32 g/mol. Its IUPAC name is 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine.

Molecular Properties

Compound Name3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine
PubChem CID168745893
Molecular FormulaC19H11N3O
Molecular Weight297.32 g/mol
Exact Mass297.09
IUPAC Name3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine
SMILESc1ccc2c(-c3cc4oc5ccccc5c4nn3)nccc2c1
InChIInChI=1S/C19H11N3O/c1-2-6-13-12(5-1)9-10-20-18(13)15-11-17-19(22-21-15)14-7-3-4-8-16(14)23-17/h1-11H
InChIKeyKKLWDYQGGWBCNL-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

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Related Compounds

4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine
CID 168746771
1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746413
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
carbanide;iridium;1-phenylisoquinoline
CID 166502152
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
2-pyrimidin-2-ylfuro[3,2-b]pyridine;1-pyrimidin-2-ylisoquinoline
CID 70207772
1-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]isoquinolin-3-yl]-[1]benzofuro[3,2-c]pyridine
CID 168746067
2-(4-methyl-2-pyridinyl)-[1]benzofuro[3,2-b]pyridine
CID 90140769
1-[3-[8-(3-isoquinolin-1-ylphenyl)octyl]phenyl]isoquinoline
CID 140678792
2-pyrimidin-2-yl-[1]benzofuro[3,2-b]pyridine
CID 70205602
4-isoquinolin-1-yl-1,3-thiazol-2-amine
CID 23595900
2-(3-phenanthren-2-ylisoquinolin-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 164937807

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine?
The IUPAC name of 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine (CID 168745893) is 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine.
What is the SMILES notation for 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine?
The canonical SMILES for 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine is c1ccc2c(-c3cc4oc5ccccc5c4nn3)nccc2c1.
What is the InChIKey of 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine?
The InChIKey is KKLWDYQGGWBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3O/c1-2-6-13-12(5-1)9-10-20-18(13)15-11-17-19(22-21-15)14-7-3-4-8-16(14)23-17/h1-11H.
What are the key properties of 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine?
3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine 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 3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine is sourced from PubChem (CID 168745893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).