ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate

C20H19NO4 — CID 91972743

IUPACethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C20H19NO4/c1-2-25-17(22)12-15(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)21-20(18)24/h3-11,15H,2,12H2,1H3,(H2,21,23,24)
InChIKeyQCMPTIRRZYKJIO-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.32
Rot. Bonds5

About ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate

ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate (PubChem CID 91972743) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate
PubChem CID91972743
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C20H19NO4/c1-2-25-17(22)12-15(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)21-20(18)24/h3-11,15H,2,12H2,1H3,(H2,21,23,24)
InChIKeyQCMPTIRRZYKJIO-UHFFFAOYSA-N
XLogP3.32
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate?
The IUPAC name of ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate (CID 91972743) is ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate?
The canonical SMILES for ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate is CCOC(=O)CC(c1ccccc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate?
The InChIKey is QCMPTIRRZYKJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-25-17(22)12-15(13-8-4-3-5-9-13)18-19(23)14-10-6-7-11-16(14)21-20(18)24/h3-11,15H,2,12H2,1H3,(H2,21,23,24).
What are the key properties of ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate?
ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate has a molecular weight of 337.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxy-2-oxo-1H-quinolin-3-yl)-3-phenylpropanoate is sourced from PubChem (CID 91972743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).