7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione

C11H7NO4 — CID 71406144

IUPAC7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione
SMILESCC1=NC(=O)c2cc3c(cc2C1=O)OCO3
InChIInChI=1S/C11H7NO4/c1-5-10(13)6-2-8-9(16-4-15-8)3-7(6)11(14)12-5/h2-3H,4H2,1H3
InChIKeyJXXSCFBCGALVQL-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.21
Rot. Bonds

About 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione

7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione (PubChem CID 71406144) has the molecular formula C11H7NO4 and a molecular weight of 217.18 g/mol. Its IUPAC name is 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione.

Molecular Properties

Compound Name7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione
PubChem CID71406144
Molecular FormulaC11H7NO4
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione
SMILESCC1=NC(=O)c2cc3c(cc2C1=O)OCO3
InChIInChI=1S/C11H7NO4/c1-5-10(13)6-2-8-9(16-4-15-8)3-7(6)11(14)12-5/h2-3H,4H2,1H3
InChIKeyJXXSCFBCGALVQL-UHFFFAOYSA-N
XLogP1.21
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione?
The IUPAC name of 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione (CID 71406144) is 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione.
What is the SMILES notation for 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione?
The canonical SMILES for 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione is CC1=NC(=O)c2cc3c(cc2C1=O)OCO3.
What is the InChIKey of 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione?
The InChIKey is JXXSCFBCGALVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO4/c1-5-10(13)6-2-8-9(16-4-15-8)3-7(6)11(14)12-5/h2-3H,4H2,1H3.
What are the key properties of 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione?
7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione has a molecular weight of 217.18 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-[1,3]dioxolo[4,5-g]isoquinoline-5,8-dione is sourced from PubChem (CID 71406144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).