3-methoxy-1-methylquinolin-4-one

C11H11NO2 — CID 605012

IUPAC3-methoxy-1-methylquinolin-4-one
SMILESCOc1cn(C)c2ccccc2c1=O
InChIInChI=1S/C11H11NO2/c1-12-7-10(14-2)11(13)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKeyLJFGKFSVGOVCKM-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.55
Rot. Bonds1

About 3-methoxy-1-methylquinolin-4-one

3-methoxy-1-methylquinolin-4-one (PubChem CID 605012) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-methoxy-1-methylquinolin-4-one.

Molecular Properties

Compound Name3-methoxy-1-methylquinolin-4-one
PubChem CID605012
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-methoxy-1-methylquinolin-4-one
SMILESCOc1cn(C)c2ccccc2c1=O
InChIInChI=1S/C11H11NO2/c1-12-7-10(14-2)11(13)8-5-3-4-6-9(8)12/h3-7H,1-2H3
InChIKeyLJFGKFSVGOVCKM-UHFFFAOYSA-N
XLogP1.55
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylquinolin-4-one?
The IUPAC name of 3-methoxy-1-methylquinolin-4-one (CID 605012) is 3-methoxy-1-methylquinolin-4-one.
What is the SMILES notation for 3-methoxy-1-methylquinolin-4-one?
The canonical SMILES for 3-methoxy-1-methylquinolin-4-one is COc1cn(C)c2ccccc2c1=O.
What is the InChIKey of 3-methoxy-1-methylquinolin-4-one?
The InChIKey is LJFGKFSVGOVCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-12-7-10(14-2)11(13)8-5-3-4-6-9(8)12/h3-7H,1-2H3.
What are the key properties of 3-methoxy-1-methylquinolin-4-one?
3-methoxy-1-methylquinolin-4-one has a molecular weight of 189.21 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylquinolin-4-one is sourced from PubChem (CID 605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).