6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one

C12H11NO3 — CID 42618027

IUPAC6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one
SMILESCc1cc(=O)n(C)c2c3c(ccc12)OCO3
InChIInChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3
InChIKeyFEMZVADPTYXZIF-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.58
Rot. Bonds

About 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one

6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one (PubChem CID 42618027) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one.

Molecular Properties

Compound Name6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one
PubChem CID42618027
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one
SMILESCc1cc(=O)n(C)c2c3c(ccc12)OCO3
InChIInChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3
InChIKeyFEMZVADPTYXZIF-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Jte-907
CID 9867770
6-Methoxy-9-methyl-(1,3)dioxolo(4,5-h)quinolin-8(9H)-one
CID 124075
5,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 1504717
6,7,8-Trimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618033
N-(1,3-benzodioxol-5-ylmethyl)-7-methoxy-1-methyl-2-oxo-8-pentoxyquinoline-3-carboxamide
CID 23555607
N-(1,3-benzodioxol-5-ylmethyl)-8-ethoxy-7-methoxy-2-oxo-1H-quinoline-3-carboxamide
CID 23555616
7,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618029
(2E)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-phenylprop-2-enamide
CID 6076661
Veprisine
CID 338941
6-Methyl[1,3]dioxolo[4,5-H]quinolin-8(9h)-One
CID 42618026
7,8-dimethoxy-4-methyl-1H-quinolin-2-one
CID 42618028
Pteleprenine
CID 167633

Frequently Asked Questions

What is the IUPAC name of 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one?
The IUPAC name of 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one (CID 42618027) is 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one.
What is the SMILES notation for 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one?
The canonical SMILES for 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one is Cc1cc(=O)n(C)c2c3c(ccc12)OCO3.
What is the InChIKey of 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one?
The InChIKey is FEMZVADPTYXZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-7-5-10(14)13(2)11-8(7)3-4-9-12(11)16-6-15-9/h3-5H,6H2,1-2H3.
What are the key properties of 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one?
6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one has a molecular weight of 217.22 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dimethyl-[1,3]dioxolo[4,5-h]quinolin-8-one is sourced from PubChem (CID 42618027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).