ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate

C21H19NO6 — CID 118451796

IUPACethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate
SMILESC=CCOn1c(=O)c(C(=O)OCC)c(O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C21H19NO6/c1-3-12-27-22-17-11-10-15(28-14-8-6-5-7-9-14)13-16(17)19(23)18(20(22)24)21(25)26-4-2/h3,5-11,13,23H,1,4,12H2,2H3
InChIKeyJFHZRMBIFUFVKJ-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.29
Rot. Bonds7

About ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate

ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate (PubChem CID 118451796) has the molecular formula C21H19NO6 and a molecular weight of 381.38 g/mol. Its IUPAC name is ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate
PubChem CID118451796
Molecular FormulaC21H19NO6
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Nameethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate
SMILESC=CCOn1c(=O)c(C(=O)OCC)c(O)c2cc(Oc3ccccc3)ccc21
InChIInChI=1S/C21H19NO6/c1-3-12-27-22-17-11-10-15(28-14-8-6-5-7-9-14)13-16(17)19(23)18(20(22)24)21(25)26-4-2/h3,5-11,13,23H,1,4,12H2,2H3
InChIKeyJFHZRMBIFUFVKJ-UHFFFAOYSA-N
XLogP3.29
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 745287
2-Hydroxy-6-methoxyquinoline-3-carboxylic acid
CID 1133173
3-Carboxamido coumarin, 22
CID 4914973
6-methoxy-N-(2-methylphenyl)-2-oxochromene-3-carboxamide
CID 804906
6-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 767956
4-(hydroxyamino)-N-(4-methoxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76310902
4-(hydroxyamino)-N-(4-hydroxyphenyl)-2-oxo-6-phenylpyran-3-carboxamide
CID 76332667
N-ethyl-6-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 878147
6-Methoxy-2-oxo-2H-chromene-3-carboxylic acid 4-acetylamino-phenyl ester
CID 1088811
6-methoxy-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 720714
1-(2,5-Dimethoxy-benzyl)-6-ethoxy-4-(4-methoxy-phenyl)-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid
CID 11755275
N-(4-ethoxyphenyl)-2-(4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl)acetamide
CID 54679511

Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate (CID 118451796) is ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate is C=CCOn1c(=O)c(C(=O)OCC)c(O)c2cc(Oc3ccccc3)ccc21.
What is the InChIKey of ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate?
The InChIKey is JFHZRMBIFUFVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO6/c1-3-12-27-22-17-11-10-15(28-14-8-6-5-7-9-14)13-16(17)19(23)18(20(22)24)21(25)26-4-2/h3,5-11,13,23H,1,4,12H2,2H3.
What are the key properties of ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate?
ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate has a molecular weight of 381.38 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-2-oxo-6-phenoxy-1-prop-2-enoxyquinoline-3-carboxylate is sourced from PubChem (CID 118451796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).