5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one

C13H15NO3 — CID 171373146

IUPAC5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one
SMILESCOc1cc(C)c2c(c1OC)C(=O)C(C)C=N2
InChIInChI=1S/C13H15NO3/c1-7-5-9(16-3)13(17-4)10-11(7)14-6-8(2)12(10)15/h5-6,8H,1-4H3
InChIKeyQWFSAORGFASORG-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.55
Rot. Bonds2

About 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one

5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one (PubChem CID 171373146) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one.

Molecular Properties

Compound Name5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one
PubChem CID171373146
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one
SMILESCOc1cc(C)c2c(c1OC)C(=O)C(C)C=N2
InChIInChI=1S/C13H15NO3/c1-7-5-9(16-3)13(17-4)10-11(7)14-6-8(2)12(10)15/h5-6,8H,1-4H3
InChIKeyQWFSAORGFASORG-UHFFFAOYSA-N
XLogP2.55
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one?
The IUPAC name of 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one (CID 171373146) is 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one.
What is the SMILES notation for 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one?
The canonical SMILES for 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one is COc1cc(C)c2c(c1OC)C(=O)C(C)C=N2.
What is the InChIKey of 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one?
The InChIKey is QWFSAORGFASORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-7-5-9(16-3)13(17-4)10-11(7)14-6-8(2)12(10)15/h5-6,8H,1-4H3.
What are the key properties of 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one?
5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one has a molecular weight of 233.27 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3,8-dimethyl-3H-quinolin-4-one is sourced from PubChem (CID 171373146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).