8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

C12H8N2O3 — CID 84625391

IUPAC8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C12H8N2O3/c1-6-7-2-10-11(17-5-16-10)3-9(7)14-12(15)8(6)4-13/h2-3H,5H2,1H3,(H,14,15)
InChIKeyZBYFZVSGSMVJNW-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.44
Rot. Bonds

About 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile

8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile (PubChem CID 84625391) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile.

Molecular Properties

Compound Name8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
PubChem CID84625391
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
SMILESCc1c(C#N)c(=O)[nH]c2cc3c(cc12)OCO3
InChIInChI=1S/C12H8N2O3/c1-6-7-2-10-11(17-5-16-10)3-9(7)14-12(15)8(6)4-13/h2-3H,5H2,1H3,(H,14,15)
InChIKeyZBYFZVSGSMVJNW-UHFFFAOYSA-N
XLogP1.44
TPSA75.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The IUPAC name of 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile (CID 84625391) is 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile.
What is the SMILES notation for 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The canonical SMILES for 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile is Cc1c(C#N)c(=O)[nH]c2cc3c(cc12)OCO3.
What is the InChIKey of 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
The InChIKey is ZBYFZVSGSMVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-6-7-2-10-11(17-5-16-10)3-9(7)14-12(15)8(6)4-13/h2-3H,5H2,1H3,(H,14,15).
What are the key properties of 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile?
8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile has a molecular weight of 228.21 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile is sourced from PubChem (CID 84625391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).