7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one

C17H17FN2O — CID 126785303

IUPAC7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCCc3ccccc3)c(F)cc2N1
InChIInChI=1S/C17H17FN2O/c18-14-11-15-13(6-7-17(21)20-15)10-16(14)19-9-8-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H,20,21)
InChIKeyXLBLFSFNLXKXFY-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.37
Rot. Bonds4

About 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126785303) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
PubChem CID126785303
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(NCCc3ccccc3)c(F)cc2N1
InChIInChI=1S/C17H17FN2O/c18-14-11-15-13(6-7-17(21)20-15)10-16(14)19-9-8-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H,20,21)
InChIKeyXLBLFSFNLXKXFY-UHFFFAOYSA-N
XLogP3.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-7-[(3-hydroxyphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723932
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 99585077
7-fluoro-6-[(2-phenyl-1,2,4-triazol-3-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 126815508
6-(1-chloro-2-phenylethyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 61083648
6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-propylbenzamide
CID 146350520
7-fluoro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 97331257
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-(3-nitrophenyl)acetamide
CID 91649819
1-(2,3-dihydro-1H-inden-2-yl)-3-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)urea
CID 86802588
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-3-(pyridin-2-ylmethyl)urea
CID 99585746
7-[(6-bromo-2-pyridinyl)methylamino]-6-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 115938007
6-fluoro-7-[(6-methyl-3-pyridinyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 104821910

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one (CID 126785303) is 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(NCCc3ccccc3)c(F)cc2N1.
What is the InChIKey of 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XLBLFSFNLXKXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-14-11-15-13(6-7-17(21)20-15)10-16(14)19-9-8-12-4-2-1-3-5-12/h1-5,10-11,19H,6-9H2,(H,20,21).
What are the key properties of 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 284.33 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-(2-phenylethylamino)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126785303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).