ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate

C14H15NO5 — CID 86732817

IUPACethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(OC)c(OC)ccc2c1=O
InChIInChI=1S/C14H15NO5/c1-4-20-14(17)9-7-15-11-8(12(9)16)5-6-10(18-2)13(11)19-3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyMMSQYVSVWYZUKA-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.72
Rot. Bonds4

About ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate

ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 86732817) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID86732817
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Nameethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(OC)c(OC)ccc2c1=O
InChIInChI=1S/C14H15NO5/c1-4-20-14(17)9-7-15-11-8(12(9)16)5-6-10(18-2)13(11)19-3/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyMMSQYVSVWYZUKA-UHFFFAOYSA-N
XLogP1.72
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate (CID 86732817) is ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(OC)c(OC)ccc2c1=O.
What is the InChIKey of ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MMSQYVSVWYZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c1-4-20-14(17)9-7-15-11-8(12(9)16)5-6-10(18-2)13(11)19-3/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 86732817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).