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

C20H19NO4 — CID 46884041

IUPACethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H19NO4/c1-4-25-20(23)17-18(13-7-5-6-12(2)10-13)21-16-11-14(24-3)8-9-15(16)19(17)22/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyZOJJWEUNNDMEQK-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.69
Rot. Bonds4

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

ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 46884041) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate
PubChem CID46884041
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)c2)[nH]c2cc(OC)ccc2c1=O
InChIInChI=1S/C20H19NO4/c1-4-25-20(23)17-18(13-7-5-6-12(2)10-13)21-16-11-14(24-3)8-9-15(16)19(17)22/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyZOJJWEUNNDMEQK-UHFFFAOYSA-N
XLogP3.69
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate (CID 46884041) is ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(C)c2)[nH]c2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is ZOJJWEUNNDMEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-4-25-20(23)17-18(13-7-5-6-12(2)10-13)21-16-11-14(24-3)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-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate?
ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methoxy-2-(3-methylphenyl)-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 46884041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).