7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione

C11H11NO3 — CID 158338689

IUPAC7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione
SMILESCOc1cc2c(cc1C)CC(=O)C(=O)N2
InChIInChI=1S/C11H11NO3/c1-6-3-7-4-9(13)11(14)12-8(7)5-10(6)15-2/h3,5H,4H2,1-2H3,(H,12,14)
InChIKeyVDJUQXALRAEXSJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.07
Rot. Bonds1

About 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione

7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione (PubChem CID 158338689) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione.

Molecular Properties

Compound Name7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione
PubChem CID158338689
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione
SMILESCOc1cc2c(cc1C)CC(=O)C(=O)N2
InChIInChI=1S/C11H11NO3/c1-6-3-7-4-9(13)11(14)12-8(7)5-10(6)15-2/h3,5H,4H2,1-2H3,(H,12,14)
InChIKeyVDJUQXALRAEXSJ-UHFFFAOYSA-N
XLogP1.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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5-amino-6-(2-methoxy-4-methylphenoxy)-1,3-dihydroindol-2-one
CID 43451902
5-(3-methoxy-4-methylbenzoyl)-1,3-dihydroindol-2-one
CID 43338590
7-methoxy-3,8-dimethyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 22400696
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
6-chloro-5-methyl-1,3-dihydroindol-2-one;ethane
CID 144928829
ethane;6-methoxy-7-methyl-1,2,3,4-tetrahydroisoquinoline
CID 166464794
(3E)-3-[(2,5-dimethoxy-4-methylphenyl)methylidene]-1H-indol-2-one
CID 112979013
5,6-diethoxy-1,3-dihydroindol-2-one
CID 22668692
6-methoxy-7-methyl-1,2,3,4-tetrahydroquinoline
CID 84656157

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione?
The IUPAC name of 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione (CID 158338689) is 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione.
What is the SMILES notation for 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione?
The canonical SMILES for 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione is COc1cc2c(cc1C)CC(=O)C(=O)N2.
What is the InChIKey of 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione?
The InChIKey is VDJUQXALRAEXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-6-3-7-4-9(13)11(14)12-8(7)5-10(6)15-2/h3,5H,4H2,1-2H3,(H,12,14).
What are the key properties of 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione?
7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione has a molecular weight of 205.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-6-methyl-1,4-dihydroquinoline-2,3-dione is sourced from PubChem (CID 158338689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).