ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate

C20H19NO5 — CID 45103531

IUPACethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H19NO5/c1-4-26-20(23)17-18(12-6-5-7-13(10-12)24-2)21-16-11-14(25-3)8-9-15(16)19(17)22/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyKWRPQBUOZRTWTK-UHFFFAOYSA-N
MW353.37 g/mol
LogP3.39
Rot. Bonds5

About ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate

ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 45103531) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID45103531
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H19NO5/c1-4-26-20(23)17-18(12-6-5-7-13(10-12)24-2)21-16-11-14(25-3)8-9-15(16)19(17)22/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyKWRPQBUOZRTWTK-UHFFFAOYSA-N
XLogP3.39
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate (CID 45103531) is ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is KWRPQBUOZRTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-4-26-20(23)17-18(12-6-5-7-13(10-12)24-2)21-16-11-14(25-3)8-9-15(16)19(17)22/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate?
ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-2-(3-methoxyphenyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 45103531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).