3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one

C15H20N2O3 — CID 18802200

IUPAC3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one
SMILESCCNCc1cc2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C15H20N2O3/c1-5-16-9-11-6-10-7-13(19-3)14(20-4)8-12(10)17(2)15(11)18/h6-8,16H,5,9H2,1-4H3
InChIKeyYFQUYCVPPCYQLB-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds5

About 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one

3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one (PubChem CID 18802200) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one
PubChem CID18802200
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one
SMILESCCNCc1cc2cc(OC)c(OC)cc2n(C)c1=O
InChIInChI=1S/C15H20N2O3/c1-5-16-9-11-6-10-7-13(19-3)14(20-4)8-12(10)17(2)15(11)18/h6-8,16H,5,9H2,1-4H3
InChIKeyYFQUYCVPPCYQLB-UHFFFAOYSA-N
XLogP1.67
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one?
The IUPAC name of 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one (CID 18802200) is 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one.
What is the SMILES notation for 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one?
The canonical SMILES for 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one is CCNCc1cc2cc(OC)c(OC)cc2n(C)c1=O.
What is the InChIKey of 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one?
The InChIKey is YFQUYCVPPCYQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-5-16-9-11-6-10-7-13(19-3)14(20-4)8-12(10)17(2)15(11)18/h6-8,16H,5,9H2,1-4H3.
What are the key properties of 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one?
3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-6,7-dimethoxy-1-methylquinolin-2-one is sourced from PubChem (CID 18802200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).