phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate

C20H19NO4 — CID 166220494

IUPACphenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
SMILESO=C(CCC1Cc2ccccc2NC1=O)OCC(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)13-25-19(23)11-10-16-12-15-8-4-5-9-17(15)21-20(16)24/h1-9,16H,10-13H2,(H,21,24)
InChIKeyXIGFJQLJYXSQOL-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.00
Rot. Bonds6

About phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate

phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate (PubChem CID 166220494) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate.

Molecular Properties

Compound Namephenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
PubChem CID166220494
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namephenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
SMILESO=C(CCC1Cc2ccccc2NC1=O)OCC(=O)c1ccccc1
InChIInChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)13-25-19(23)11-10-16-12-15-8-4-5-9-17(15)21-20(16)24/h1-9,16H,10-13H2,(H,21,24)
InChIKeyXIGFJQLJYXSQOL-UHFFFAOYSA-N
XLogP3.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 31038327
(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 16615487
[2-(2-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
CID 166220502
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
N-(2-aminoethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119383150
(3S)-2-[3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125132973
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111543322
(4-bromo-2-chlorophenyl) 3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 26262429
1,3-benzodioxol-5-yl 3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanoate
CID 31038351
3-[3-[2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-3,4-dihydro-1H-quinolin-2-one
CID 119632117
3-(2-oxopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 145472008

Frequently Asked Questions

What is the IUPAC name of phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The IUPAC name of phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate (CID 166220494) is phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate.
What is the SMILES notation for phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The canonical SMILES for phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate is O=C(CCC1Cc2ccccc2NC1=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The InChIKey is XIGFJQLJYXSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c22-18(14-6-2-1-3-7-14)13-25-19(23)11-10-16-12-15-8-4-5-9-17(15)21-20(16)24/h1-9,16H,10-13H2,(H,21,24).
What are the key properties of phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate has a molecular weight of 337.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate is sourced from PubChem (CID 166220494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).