ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate

C19H17NO5 — CID 76852698

IUPACethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C19H17NO5/c1-3-24-19(23)16-17(21)14-10-9-13(11-15(14)20(2)18(16)22)25-12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3
InChIKeyDRPWZHRNDOIRTI-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.21
Rot. Bonds4

About ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate

ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate (PubChem CID 76852698) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
PubChem CID76852698
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Nameethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O
InChIInChI=1S/C19H17NO5/c1-3-24-19(23)16-17(21)14-10-9-13(11-15(14)20(2)18(16)22)25-12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3
InChIKeyDRPWZHRNDOIRTI-UHFFFAOYSA-N
XLogP3.21
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate (CID 76852698) is ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccc(Oc3ccccc3)cc2n(C)c1=O.
What is the InChIKey of ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate?
The InChIKey is DRPWZHRNDOIRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-3-24-19(23)16-17(21)14-10-9-13(11-15(14)20(2)18(16)22)25-12-7-5-4-6-8-12/h4-11,21H,3H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate?
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate has a molecular weight of 339.35 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate is sourced from PubChem (CID 76852698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).