5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole

C18H12N2O2 — CID 164673967

IUPAC5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole
SMILESc1ccc2c(-n3ccc4cc5c(cc43)OCO5)nccc2c1
InChIInChI=1S/C18H12N2O2/c1-2-4-14-12(3-1)5-7-19-18(14)20-8-6-13-9-16-17(10-15(13)20)22-11-21-16/h1-10H,11H2
InChIKeyGITUOHDGTYNHNV-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.91
Rot. Bonds1

About 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole

5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole (PubChem CID 164673967) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole
PubChem CID164673967
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole
SMILESc1ccc2c(-n3ccc4cc5c(cc43)OCO5)nccc2c1
InChIInChI=1S/C18H12N2O2/c1-2-4-14-12(3-1)5-7-19-18(14)20-8-6-13-9-16-17(10-15(13)20)22-11-21-16/h1-10H,11H2
InChIKeyGITUOHDGTYNHNV-UHFFFAOYSA-N
XLogP3.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methoxyindol-1-yl)isoquinoline
CID 162514100
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)pyrazol-3-amine
CID 106541712
3-isoquinolin-1-yl-1H-imidazole-2-thione
CID 10728009
5-(4-iodopyrazol-1-yl)-[1,3]dioxolo[4,5-g]isoquinoline
CID 106541305
5-chloro-[1,3]dioxolo[4,5-g]isoquinoline
CID 21192459
1-([1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3,5-dimethylpyrazol-4-amine
CID 106541703
3-isoquinolin-1-yl-3-azabicyclo[3.1.0]hexan-6-amine
CID 69122033
5-propyl-[1,3]dioxolo[4,5-g]isoquinoline
CID 16638151
16-fluoro-12-(6-fluoroindol-1-yl)-5,7-dioxa-13-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,11,14(19),15,17-octaene
CID 138811164
1-(diazepan-1-yl)isoquinoline
CID 142775679
1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
[1,3]dioxolo[4,5-f]indole-5-carboxamide
CID 141014414

Frequently Asked Questions

What is the IUPAC name of 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole (CID 164673967) is 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole is c1ccc2c(-n3ccc4cc5c(cc43)OCO5)nccc2c1.
What is the InChIKey of 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole?
The InChIKey is GITUOHDGTYNHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c1-2-4-14-12(3-1)5-7-19-18(14)20-8-6-13-9-16-17(10-15(13)20)22-11-21-16/h1-10H,11H2.
What are the key properties of 5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole?
5-isoquinolin-1-yl-[1,3]dioxolo[4,5-f]indole has a molecular weight of 288.31 g/mol, XLogP of 3.91, 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-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 164673967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).