ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate

C18H15NO4 — CID 155209399

IUPACethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1
InChIInChI=1S/C18H15NO4/c1-2-23-18(22)12-5-8-15-14(9-12)17(21)10-16(19-15)11-3-6-13(20)7-4-11/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyYCOMMNMAUAWGLK-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.08
Rot. Bonds3

About ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate

ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate (PubChem CID 155209399) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
PubChem CID155209399
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Nameethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1
InChIInChI=1S/C18H15NO4/c1-2-23-18(22)12-5-8-15-14(9-12)17(21)10-16(19-15)11-3-6-13(20)7-4-11/h3-10,20H,2H2,1H3,(H,19,21)
InChIKeyYCOMMNMAUAWGLK-UHFFFAOYSA-N
XLogP3.08
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
The IUPAC name of ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate (CID 155209399) is ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
The canonical SMILES for ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate is CCOC(=O)c1ccc2[nH]c(-c3ccc(O)cc3)cc(=O)c2c1.
What is the InChIKey of ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
The InChIKey is YCOMMNMAUAWGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-2-23-18(22)12-5-8-15-14(9-12)17(21)10-16(19-15)11-3-6-13(20)7-4-11/h3-10,20H,2H2,1H3,(H,19,21).
What are the key properties of ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate?
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate has a molecular weight of 309.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate is sourced from PubChem (CID 155209399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).