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

C20H19NO4 — CID 16615487

IUPAC(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
SMILESCC(=O)c1ccc(OC(=O)CCC2Cc3ccccc3NC2=O)cc1
InChIInChI=1S/C20H19NO4/c1-13(22)14-6-9-17(10-7-14)25-19(23)11-8-16-12-15-4-2-3-5-18(15)21-20(16)24/h2-7,9-10,16H,8,11-12H2,1H3,(H,21,24)
InChIKeyMRAJMOXVZYAWML-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.39
Rot. Bonds5

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

(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate (PubChem CID 16615487) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate.

Molecular Properties

Compound Name(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
PubChem CID16615487
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate
SMILESCC(=O)c1ccc(OC(=O)CCC2Cc3ccccc3NC2=O)cc1
InChIInChI=1S/C20H19NO4/c1-13(22)14-6-9-17(10-7-14)25-19(23)11-8-16-12-15-4-2-3-5-18(15)21-20(16)24/h2-7,9-10,16H,8,11-12H2,1H3,(H,21,24)
InChIKeyMRAJMOXVZYAWML-UHFFFAOYSA-N
XLogP3.39
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The IUPAC name of (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate (CID 16615487) is (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate.
What is the SMILES notation for (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The canonical SMILES for (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate is CC(=O)c1ccc(OC(=O)CCC2Cc3ccccc3NC2=O)cc1.
What is the InChIKey of (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
The InChIKey is MRAJMOXVZYAWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(22)14-6-9-17(10-7-14)25-19(23)11-8-16-12-15-4-2-3-5-18(15)21-20(16)24/h2-7,9-10,16H,8,11-12H2,1H3,(H,21,24).
What are the key properties of (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate?
(4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate has a molecular weight of 337.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoate is sourced from PubChem (CID 16615487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).