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

C11H9NO3 — CID 42618026

IUPAC6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one
SMILESCc1cc(=O)[nH]c2c3c(ccc12)OCO3
InChIInChI=1S/C11H9NO3/c1-6-4-9(13)12-10-7(6)2-3-8-11(10)15-5-14-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyXCKXJOHJSMHNFE-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.57
Rot. Bonds

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

6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one (PubChem CID 42618026) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one.

Molecular Properties

Compound Name6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one
PubChem CID42618026
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one
SMILESCc1cc(=O)[nH]c2c3c(ccc12)OCO3
InChIInChI=1S/C11H9NO3/c1-6-4-9(13)12-10-7(6)2-3-8-11(10)15-5-14-8/h2-4H,5H2,1H3,(H,12,13)
InChIKeyXCKXJOHJSMHNFE-UHFFFAOYSA-N
XLogP1.57
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
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
6,9-Dimethyl[1,3]dioxolo[4,5-H]quinolin-8(9h)-One
CID 42618027
7,8-Dimethoxy-1,4-dimethylquinolin-2(1H)-one
CID 42618029
6,7,8-Trimethoxy-4-methylquinolin-2(1H)-one
CID 42618032
5,8-Dimethoxy-4-methylquinolin-2(1H)-one
CID 269167
7-[(2-hydroxyethyl)sulfanyl]-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 2941179
7-(butylthio)-8-methyl[1,3]dioxolo[4,5-g]quinolin-6(5H)-one
CID 2942078
Preskimmianine
CID 12305721
N-(6-methyl-2H-1,3-benzodioxol-5-yl)acetamide
CID 71758655

Frequently Asked Questions

What is the IUPAC name of 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one?
The IUPAC name of 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one (CID 42618026) is 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one.
What is the SMILES notation for 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one?
The canonical SMILES for 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one is Cc1cc(=O)[nH]c2c3c(ccc12)OCO3.
What is the InChIKey of 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one?
The InChIKey is XCKXJOHJSMHNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-6-4-9(13)12-10-7(6)2-3-8-11(10)15-5-14-8/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one?
6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one has a molecular weight of 203.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9H-[1,3]dioxolo[4,5-h]quinolin-8-one is sourced from PubChem (CID 42618026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).