3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one

C11H11FN2O — CID 84620651

IUPAC3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
SMILESCC(N)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C11H11FN2O/c1-6(13)9-4-7-2-3-8(12)5-10(7)14-11(9)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyZIUHTVGMQCDFOA-UHFFFAOYSA-N
MW206.22 g/mol
LogP1.69
Rot. Bonds1

About 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one

3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one (PubChem CID 84620651) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
PubChem CID84620651
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one
SMILESCC(N)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C11H11FN2O/c1-6(13)9-4-7-2-3-8(12)5-10(7)14-11(9)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyZIUHTVGMQCDFOA-UHFFFAOYSA-N
XLogP1.69
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
7-fluoro-1H-quinolin-2-one
CID 19067575
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
ethyl 2-[(6-fluoro-1H-indole-2-carbonyl)amino]propanoate
CID 16677025
1-(4-fluoro-2-methylphenyl)ethanamine
CID 62791014
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 110419247
(1S)-1-(2-ethyl-5-fluorophenyl)ethanamine
CID 130619359
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 56898752
1-(2-chloro-4-fluorophenyl)ethanamine
CID 18542888
1-(2,4-difluorophenyl)propane-1,2-diamine
CID 20546527

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one?
The IUPAC name of 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one (CID 84620651) is 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one.
What is the SMILES notation for 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one?
The canonical SMILES for 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one is CC(N)c1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one?
The InChIKey is ZIUHTVGMQCDFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c1-6(13)9-4-7-2-3-8(12)5-10(7)14-11(9)15/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one?
3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one has a molecular weight of 206.22 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-7-fluoro-1H-quinolin-2-one is sourced from PubChem (CID 84620651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).