7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole

C22H20N2O4 — CID 22019308

IUPAC7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESCCCC(c1c[nH]c2cc3c(cc12)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C22H20N2O4/c1-2-3-12(15-8-23-17-6-21-19(4-13(15)17)25-10-27-21)16-9-24-18-7-22-20(5-14(16)18)26-11-28-22/h4-9,12,23-24H,2-3,10-11H2,1H3
InChIKeyDWTXAWVVQNBLFJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP5.04
Rot. Bonds4

About 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole

7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole (PubChem CID 22019308) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
PubChem CID22019308
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
SMILESCCCC(c1c[nH]c2cc3c(cc12)OCO3)c1c[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C22H20N2O4/c1-2-3-12(15-8-23-17-6-21-19(4-13(15)17)25-10-27-21)16-9-24-18-7-22-20(5-14(16)18)26-11-28-22/h4-9,12,23-24H,2-3,10-11H2,1H3
InChIKeyDWTXAWVVQNBLFJ-UHFFFAOYSA-N
XLogP5.04
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.41
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole (CID 22019308) is 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole is CCCC(c1c[nH]c2cc3c(cc12)OCO3)c1c[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is DWTXAWVVQNBLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-2-3-12(15-8-23-17-6-21-19(4-13(15)17)25-10-27-21)16-9-24-18-7-22-20(5-14(16)18)26-11-28-22/h4-9,12,23-24H,2-3,10-11H2,1H3.
What are the key properties of 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole?
7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 376.41 g/mol, XLogP of 5.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(5H-[1,3]dioxolo[4,5-f]indol-7-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 22019308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).