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

C21H19NO4 — CID 71458871

IUPACethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESC=Cc1cccc(-c2[nH]c3cc(OC)ccc3c(=O)c2C(=O)OCC)c1
InChIInChI=1S/C21H19NO4/c1-4-13-7-6-8-14(11-13)19-18(21(24)26-5-2)20(23)16-10-9-15(25-3)12-17(16)22-19/h4,6-12H,1,5H2,2-3H3,(H,22,23)
InChIKeyHBULBQQNTILPQP-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.02
Rot. Bonds5

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

ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 71458871) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
PubChem CID71458871
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Nameethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate
SMILESC=Cc1cccc(-c2[nH]c3cc(OC)ccc3c(=O)c2C(=O)OCC)c1
InChIInChI=1S/C21H19NO4/c1-4-13-7-6-8-14(11-13)19-18(21(24)26-5-2)20(23)16-10-9-15(25-3)12-17(16)22-19/h4,6-12H,1,5H2,2-3H3,(H,22,23)
InChIKeyHBULBQQNTILPQP-UHFFFAOYSA-N
XLogP4.02
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate (CID 71458871) is ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is C=Cc1cccc(-c2[nH]c3cc(OC)ccc3c(=O)c2C(=O)OCC)c1.
What is the InChIKey of ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is HBULBQQNTILPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-4-13-7-6-8-14(11-13)19-18(21(24)26-5-2)20(23)16-10-9-15(25-3)12-17(16)22-19/h4,6-12H,1,5H2,2-3H3,(H,22,23).
What are the key properties of ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate?
ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethenylphenyl)-7-methoxy-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71458871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).