6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

C21H23FN2O2 — CID 163397311

IUPAC6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCN3CCC[C@H]3c3cccc(F)c3)ccc2N1
InChIInChI=1S/C21H23FN2O2/c22-17-4-1-3-16(13-17)20-5-2-10-24(20)11-12-26-18-7-8-19-15(14-18)6-9-21(25)23-19/h1,3-4,7-8,13-14,20H,2,5-6,9-12H2,(H,23,25)/t20-/m0/s1
InChIKeyZHGIASFMHGIOQA-FQEVSTJZSA-N
MW354.43 g/mol
LogP3.93
Rot. Bonds5

About 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 163397311) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID163397311
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCN3CCC[C@H]3c3cccc(F)c3)ccc2N1
InChIInChI=1S/C21H23FN2O2/c22-17-4-1-3-16(13-17)20-5-2-10-24(20)11-12-26-18-7-8-19-15(14-18)6-9-21(25)23-19/h1,3-4,7-8,13-14,20H,2,5-6,9-12H2,(H,23,25)/t20-/m0/s1
InChIKeyZHGIASFMHGIOQA-FQEVSTJZSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-[2-(3-fluorophenyl)azetidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 163397251
6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24652382
6-[2-(2-aminocyclopentyl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
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1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
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3-[3-[2-(3-fluorophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47058227
6-(3-piperazin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 13054218
4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
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6-[4-(3-methylpiperidin-1-yl)-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 134005090
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119632574
5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pentanoic acid
CID 129398261
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
6-[3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 163397311) is 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCN3CCC[C@H]3c3cccc(F)c3)ccc2N1.
What is the InChIKey of 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ZHGIASFMHGIOQA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23FN2O2/c22-17-4-1-3-16(13-17)20-5-2-10-24(20)11-12-26-18-7-8-19-15(14-18)6-9-21(25)23-19/h1,3-4,7-8,13-14,20H,2,5-6,9-12H2,(H,23,25)/t20-/m0/s1.
What are the key properties of 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 354.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 163397311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).