7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

C11H12N2O3 — CID 84623465

IUPAC7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCNC1Cc2cc3c(cc2NC1=O)OCO3
InChIInChI=1S/C11H12N2O3/c1-12-8-2-6-3-9-10(16-5-15-9)4-7(6)13-11(8)14/h3-4,8,12H,2,5H2,1H3,(H,13,14)
InChIKeyDSGGJMXVRMRHFE-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.50
Rot. Bonds1

About 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one

7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 84623465) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID84623465
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCNC1Cc2cc3c(cc2NC1=O)OCO3
InChIInChI=1S/C11H12N2O3/c1-12-8-2-6-3-9-10(16-5-15-9)4-7(6)13-11(8)14/h3-4,8,12H,2,5H2,1H3,(H,13,14)
InChIKeyDSGGJMXVRMRHFE-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 84623465) is 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is CNC1Cc2cc3c(cc2NC1=O)OCO3.
What is the InChIKey of 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is DSGGJMXVRMRHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-12-8-2-6-3-9-10(16-5-15-9)4-7(6)13-11(8)14/h3-4,8,12H,2,5H2,1H3,(H,13,14).
What are the key properties of 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one?
7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 220.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 84623465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).