6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one

C17H17FN2O — CID 82174036

IUPAC6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(Cc1ccccc1)c1cc(F)c2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17FN2O/c18-14-10-13(9-12-6-7-16(21)20-17(12)14)15(19)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8,19H2,(H,20,21)
InChIKeyGYFSXOBMCNMVRP-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.95
Rot. Bonds3

About 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one

6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174036) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174036
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one
SMILESNC(Cc1ccccc1)c1cc(F)c2c(c1)CCC(=O)N2
InChIInChI=1S/C17H17FN2O/c18-14-10-13(9-12-6-7-16(21)20-17(12)14)15(19)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8,19H2,(H,20,21)
InChIKeyGYFSXOBMCNMVRP-UHFFFAOYSA-N
XLogP2.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-(1-amino-2-phenylethyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 82174314
5-(1-amino-2-phenylethyl)-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 82173640
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
[(Z)-3-fluoro-2-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-hydroxymethyl]prop-2-enyl]carbamic acid
CID 175398867
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
8-chloro-6-[hydroxy(phenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82174090
7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 97331257
1-(3,5-dimethylphenyl)-2-phenylethanamine
CID 60917697
5-[(1S)-1-amino-2-phenylethyl]-1,2-dihydropyrazol-3-one
CID 112710465
6-(2-phenyl-1-pyridin-3-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 19854708
6-[1-bromo-2-(4-fluorophenyl)ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 61098523

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one (CID 82174036) is 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is NC(Cc1ccccc1)c1cc(F)c2c(c1)CCC(=O)N2.
What is the InChIKey of 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is GYFSXOBMCNMVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-10-13(9-12-6-7-16(21)20-17(12)14)15(19)8-11-4-2-1-3-5-11/h1-5,9-10,15H,6-8,19H2,(H,20,21).
What are the key properties of 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one?
6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2-phenylethyl)-8-fluoro-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).