3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one

C12H13FN2O — CID 84623500

IUPAC3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
SMILESCC(N)c1cc2ccc(F)cc2n(C)c1=O
InChIInChI=1S/C12H13FN2O/c1-7(14)10-5-8-3-4-9(13)6-11(8)15(2)12(10)16/h3-7H,14H2,1-2H3
InChIKeyJYCYFUHXQUJBJI-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.70
Rot. Bonds1

About 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one

3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one (PubChem CID 84623500) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
PubChem CID84623500
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
SMILESCC(N)c1cc2ccc(F)cc2n(C)c1=O
InChIInChI=1S/C12H13FN2O/c1-7(14)10-5-8-3-4-9(13)6-11(8)15(2)12(10)16/h3-7H,14H2,1-2H3
InChIKeyJYCYFUHXQUJBJI-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one (CID 84623500) is 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one is CC(N)c1cc2ccc(F)cc2n(C)c1=O.
What is the InChIKey of 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
The InChIKey is JYCYFUHXQUJBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-7(14)10-5-8-3-4-9(13)6-11(8)15(2)12(10)16/h3-7H,14H2,1-2H3.
What are the key properties of 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one?
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one has a molecular weight of 220.25 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one is sourced from PubChem (CID 84623500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).