3-(aminomethyl)-1,4,7-trimethylquinolin-2-one

C13H16N2O — CID 84622309

IUPAC3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
SMILESCc1ccc2c(C)c(CN)c(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O/c1-8-4-5-10-9(2)11(7-14)13(16)15(3)12(10)6-8/h4-6H,7,14H2,1-3H3
InChIKeyJSXPAGWJVHNRND-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.61
Rot. Bonds1

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

3-(aminomethyl)-1,4,7-trimethylquinolin-2-one (PubChem CID 84622309) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
PubChem CID84622309
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(aminomethyl)-1,4,7-trimethylquinolin-2-one
SMILESCc1ccc2c(C)c(CN)c(=O)n(C)c2c1
InChIInChI=1S/C13H16N2O/c1-8-4-5-10-9(2)11(7-14)13(16)15(3)12(10)6-8/h4-6H,7,14H2,1-3H3
InChIKeyJSXPAGWJVHNRND-UHFFFAOYSA-N
XLogP1.61
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-7-methoxy-1,4-dimethylquinolin-2-one
CID 84626906
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
CID 84623498
3-(aminomethyl)-7-chloro-6-methoxy-1,4-dimethylquinolin-2-one
CID 84640262
3-(1,2,6-trimethylindol-3-yl)propan-1-amine
CID 82493187
2-(1,2,6-trimethylindol-3-yl)acetic acid
CID 82493301
2-(aminomethyl)-3,7-dimethylquinazolin-4-one
CID 84777308
3-(2-aminoethyl)-1,7-dimethylquinolin-2-one
CID 115029633
3-(aminomethyl)-5,7-dimethoxy-1,4-dimethylquinolin-2-one
CID 84638829
4-(4-methoxyphenyl)-1,7-dimethylquinazolin-2-one
CID 163851359
3-(4-aminobutyl)-1,7-dimethylquinolin-2-one
CID 84631405
[1,5-dimethyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84630192
2-amino-1-(1,2,6-trimethylindol-3-yl)ethanol
CID 82493660

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one (CID 84622309) is 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one is Cc1ccc2c(C)c(CN)c(=O)n(C)c2c1.
What is the InChIKey of 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one?
The InChIKey is JSXPAGWJVHNRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-8-4-5-10-9(2)11(7-14)13(16)15(3)12(10)6-8/h4-6H,7,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one?
3-(aminomethyl)-1,4,7-trimethylquinolin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,4,7-trimethylquinolin-2-one is sourced from PubChem (CID 84622309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).