(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one

C15H12FNO — CID 86326370

IUPAC(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C15H12FNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2/t14-/m0/s1
InChIKeyHQCCOFMBOJBRQY-AWEZNQCLSA-N
MW241.27 g/mol
LogP3.57
Rot. Bonds1

About (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one

(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 86326370) has the molecular formula C15H12FNO and a molecular weight of 241.27 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID86326370
Molecular FormulaC15H12FNO
Molecular Weight241.27 g/mol
Exact Mass241.09
IUPAC Name(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1C[C@@H](c2ccc(F)cc2)Nc2ccccc21
InChIInChI=1S/C15H12FNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2/t14-/m0/s1
InChIKeyHQCCOFMBOJBRQY-AWEZNQCLSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2,3-dihydro-1H-quinolin-4-one
CID 110538830
6-(4-fluorophenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 10803041
(2S,4S)-2,4-bis(4-fluorophenyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
CID 102430675
2-(3-chloro-4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 110539671
CID 56964004
CID 56964004
(2S)-2-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoxaline
CID 171063111
2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
CID 139262353
2-phenyl-2,3-dihydro-1H-1,8-naphthyridin-4-one
CID 132536769
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one (CID 86326370) is (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one is O=C1C[C@@H](c2ccc(F)cc2)Nc2ccccc21.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is HQCCOFMBOJBRQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12FNO/c16-11-7-5-10(6-8-11)14-9-15(18)12-3-1-2-4-13(12)17-14/h1-8,14,17H,9H2/t14-/m0/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one?
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 241.27 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 86326370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).