6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one

C21H22N2O3 — CID 24652382

IUPAC6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)N3CCCC3c3ccccc3)ccc2N1
InChIInChI=1S/C21H22N2O3/c24-20-11-8-16-13-17(9-10-18(16)22-20)26-14-21(25)23-12-4-7-19(23)15-5-2-1-3-6-15/h1-3,5-6,9-10,13,19H,4,7-8,11-12,14H2,(H,22,24)
InChIKeyKYQLXEWTSFCXPH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.31
Rot. Bonds4

About 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one

6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 24652382) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID24652382
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCC(=O)N3CCCC3c3ccccc3)ccc2N1
InChIInChI=1S/C21H22N2O3/c24-20-11-8-16-13-17(9-10-18(16)22-20)26-14-21(25)23-12-4-7-19(23)15-5-2-1-3-6-15/h1-3,5-6,9-10,13,19H,4,7-8,11-12,14H2,(H,22,24)
InChIKeyKYQLXEWTSFCXPH-UHFFFAOYSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]pyrrolidine-2-carboxamide
CID 94011876
6-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24685674
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 24650648
6-[2-oxo-2-(4-pyrrol-1-ylpiperidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 51128978
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 119632574
6-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119632573
2-(4-nitrophenoxy)-1-[(2S)-2-phenylpyrrolidin-1-yl]ethanone
CID 41293733
6-[1-(2-oxo-3-phenoxypropyl)azetidin-3-yl]oxy-3,4-dihydro-1H-quinolin-2-one
CID 90054127
6-[2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]ethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 163397311
6-[2-[(2R)-2-ethylmorpholin-4-yl]-2-oxoethoxy]-3,4-dihydro-1H-quinolin-2-one
CID 94014711
6-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 119650186
7-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 172880259

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one (CID 24652382) is 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCC(=O)N3CCCC3c3ccccc3)ccc2N1.
What is the InChIKey of 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KYQLXEWTSFCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-20-11-8-16-13-17(9-10-18(16)22-20)26-14-21(25)23-12-4-7-19(23)15-5-2-1-3-6-15/h1-3,5-6,9-10,13,19H,4,7-8,11-12,14H2,(H,22,24).
What are the key properties of 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-(2-phenylpyrrolidin-1-yl)ethoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 24652382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).