3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one

C13H16N2O2 — CID 84626906

IUPAC3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
SMILESCOc1ccc2c(C)c(CN)c(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O2/c1-8-10-5-4-9(17-3)6-12(10)15(2)13(16)11(8)7-14/h4-6H,7,14H2,1-3H3
InChIKeyNMHNJRJJISZANB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.31
Rot. Bonds2

About 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one

3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one (PubChem CID 84626906) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
PubChem CID84626906
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
SMILESCOc1ccc2c(C)c(CN)c(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O2/c1-8-10-5-4-9(17-3)6-12(10)15(2)13(16)11(8)7-14/h4-6H,7,14H2,1-3H3
InChIKeyNMHNJRJJISZANB-UHFFFAOYSA-N
XLogP1.31
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
CID 84622309
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
CID 84640262
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
(E)-3-(7-methoxy-1,4-dimethyl-2-oxoquinolin-3-yl)prop-2-enoic acid
CID 84641860
6-methoxy-1,4-dimethyl-3-[2-(methylamino)ethyl]quinolin-2-one
CID 84638183
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3-(6-methoxy-1,2-dimethylindol-3-yl)propan-1-amine
CID 82495889
3-(aminomethyl)-6-(2,5-dimethoxyphenyl)-1,4-dimethylpyridin-2-one
CID 82189721
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one (CID 84626906) is 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one is COc1ccc2c(C)c(CN)c(=O)n(C)c2c1.
What is the InChIKey of 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one?
The InChIKey is NMHNJRJJISZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-10-5-4-9(17-3)6-12(10)15(2)13(16)11(8)7-14/h4-6H,7,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one?
3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 84626906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).