3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one

C12H13FN2O — CID 84623498

IUPAC3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
SMILESCc1c(CN)c(=O)n(C)c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O/c1-7-9-5-8(13)3-4-11(9)15(2)12(16)10(7)6-14/h3-5H,6,14H2,1-2H3
InChIKeyWGYYRYDEDVHRIW-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.44
Rot. Bonds1

About 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one

3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one (PubChem CID 84623498) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
PubChem CID84623498
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one
SMILESCc1c(CN)c(=O)n(C)c2ccc(F)cc12
InChIInChI=1S/C12H13FN2O/c1-7-9-5-8(13)3-4-11(9)15(2)12(16)10(7)6-14/h3-5H,6,14H2,1-2H3
InChIKeyWGYYRYDEDVHRIW-UHFFFAOYSA-N
XLogP1.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one (CID 84623498) is 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one is Cc1c(CN)c(=O)n(C)c2ccc(F)cc12.
What is the InChIKey of 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one?
The InChIKey is WGYYRYDEDVHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7-9-5-8(13)3-4-11(9)15(2)12(16)10(7)6-14/h3-5H,6,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one?
3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-fluoro-1,4-dimethylquinolin-2-one is sourced from PubChem (CID 84623498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).