ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

C13H13NO5 — CID 15675226

IUPACethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(O)c(OC)ccc2c1=O
InChIInChI=1S/C13H13NO5/c1-3-19-13(17)8-6-14-10-7(11(8)15)4-5-9(18-2)12(10)16/h4-6,16H,3H2,1-2H3,(H,14,15)
InChIKeyOVOCXEAEPRTAML-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.42
Rot. Bonds3

About ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 15675226) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID15675226
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Nameethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(O)c(OC)ccc2c1=O
InChIInChI=1S/C13H13NO5/c1-3-19-13(17)8-6-14-10-7(11(8)15)4-5-9(18-2)12(10)16/h4-6,16H,3H2,1-2H3,(H,14,15)
InChIKeyOVOCXEAEPRTAML-UHFFFAOYSA-N
XLogP1.42
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 7-ethyl-8-hydroxy-4-oxo-1H-1,6-naphthyridine-3-carboxylate
CID 59242632
ethyl 4-oxo-8-propan-2-yl-1H-quinoline-3-carboxylate
CID 735355
ethyl 7-iodo-6-methoxy-4-oxo-1H-quinoline-3-carboxylate
CID 78358217
ethyl 8-methoxy-4-oxo-6-phenylmethoxy-1H-quinoline-3-carboxylate
CID 19914495
ethyl 8-nitro-4-oxo-1H-quinoline-3-carboxylate
CID 734639
ethyl 6-fluoro-4-oxo-8-phenylmethoxy-1H-quinoline-3-carboxylate
CID 10382679
ethyl 10-hydroxy-7-nitro-4-oxo-1H-1,10-phenanthrolin-10-ium-3-carboxylate
CID 142621096
ethyl 8-fluoro-6-[(4-methoxyphenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 69129154
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
CID 2797073
ethane;ethyl 8-(hydroxymethyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 143454813

Frequently Asked Questions

What is the IUPAC name of ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 15675226) is ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(O)c(OC)ccc2c1=O.
What is the InChIKey of ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is OVOCXEAEPRTAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-3-19-13(17)8-6-14-10-7(11(8)15)4-5-9(18-2)12(10)16/h4-6,16H,3H2,1-2H3,(H,14,15).
What are the key properties of ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-hydroxy-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 15675226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).