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

C12H14N2O3 — CID 84627659

IUPAC5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCNC1CC(=O)N(C)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H14N2O3/c1-13-8-4-12(15)14(2)9-5-11-10(3-7(8)9)16-6-17-11/h3,5,8,13H,4,6H2,1-2H3
InChIKeyNDUNOVPHEYSTMA-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.04
Rot. Bonds1

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

5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one (PubChem CID 84627659) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one.

Molecular Properties

Compound Name5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
PubChem CID84627659
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one
SMILESCNC1CC(=O)N(C)c2cc3c(cc21)OCO3
InChIInChI=1S/C12H14N2O3/c1-13-8-4-12(15)14(2)9-5-11-10(3-7(8)9)16-6-17-11/h3,5,8,13H,4,6H2,1-2H3
InChIKeyNDUNOVPHEYSTMA-UHFFFAOYSA-N
XLogP1.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
The IUPAC name of 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one (CID 84627659) is 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one.
What is the SMILES notation for 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
The canonical SMILES for 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one is CNC1CC(=O)N(C)c2cc3c(cc21)OCO3.
What is the InChIKey of 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
The InChIKey is NDUNOVPHEYSTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-13-8-4-12(15)14(2)9-5-11-10(3-7(8)9)16-6-17-11/h3,5,8,13H,4,6H2,1-2H3.
What are the key properties of 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one?
5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one has a molecular weight of 234.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-(methylamino)-7,8-dihydro-[1,3]dioxolo[4,5-g]quinolin-6-one is sourced from PubChem (CID 84627659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).