4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine

C18H10N4O — CID 168746771

IUPAC4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine
SMILESc1ccc2c(-c3nnnc4c3oc3ccccc34)nccc2c1
InChIInChI=1S/C18H10N4O/c1-2-6-12-11(5-1)9-10-19-15(12)17-18-16(20-22-21-17)13-7-3-4-8-14(13)23-18/h1-10H
InChIKeyMXPIKSOTXXGCMZ-UHFFFAOYSA-N
MW298.31 g/mol
LogP3.99
Rot. Bonds1

About 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine

4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine (PubChem CID 168746771) has the molecular formula C18H10N4O and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine.

Molecular Properties

Compound Name4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine
PubChem CID168746771
Molecular FormulaC18H10N4O
Molecular Weight298.31 g/mol
Exact Mass298.09
IUPAC Name4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine
SMILESc1ccc2c(-c3nnnc4c3oc3ccccc34)nccc2c1
InChIInChI=1S/C18H10N4O/c1-2-6-12-11(5-1)9-10-19-15(12)17-18-16(20-22-21-17)13-7-3-4-8-14(13)23-18/h1-10H
InChIKeyMXPIKSOTXXGCMZ-UHFFFAOYSA-N
XLogP3.99
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-isoquinolin-1-yl-[1]benzofuro[3,2-c]pyridazine
CID 168745893
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
1-(7-fluorodibenzofuran-4-yl)isoquinoline
CID 164797559
1-benzo[h]quinolin-2-yl-[1]benzofuro[3,2-c]pyridine
CID 168746413
4-phenyl-[1]benzofuro[3,2-b]pyridine
CID 90139239
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
3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14,16,18,20-decaene
CID 14690181
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
4,8-bis([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 130191509
carbanide;iridium;1-phenylisoquinoline
CID 166502152
2-(ethoxymethyl)-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 154793562

Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine?
The IUPAC name of 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine (CID 168746771) is 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine.
What is the SMILES notation for 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine?
The canonical SMILES for 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine is c1ccc2c(-c3nnnc4c3oc3ccccc34)nccc2c1.
What is the InChIKey of 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine?
The InChIKey is MXPIKSOTXXGCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O/c1-2-6-12-11(5-1)9-10-19-15(12)17-18-16(20-22-21-17)13-7-3-4-8-14(13)23-18/h1-10H.
What are the key properties of 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine?
4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine has a molecular weight of 298.31 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-1-yl-[1]benzofuro[3,2-d]triazine is sourced from PubChem (CID 168746771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).