ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate

C18H15NO3 — CID 155209422

IUPACethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)13-8-9-14-16(10-13)19-15(11-17(14)20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyIKOKVFQJZVOSBC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.37
Rot. Bonds3

About ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate

ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate (PubChem CID 155209422) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
PubChem CID155209422
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)13-8-9-14-16(10-13)19-15(11-17(14)20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyIKOKVFQJZVOSBC-UHFFFAOYSA-N
XLogP3.37
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
ethyl 2-(4-methoxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209376
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 1-cyclohexyl-2-(4-oxo-2-phenyl-1H-quinolin-6-yl)benzimidazole-5-carboxylate
CID 86600381
ethyl 4-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 10332014
ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
diethyl 10H-[1]benzoselenolo[3,2-b]indole-2,7-dicarboxylate
CID 14976421
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
ethyl 3-(hydroxymethyl)-4-phenylbenzoate
CID 175285758

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate?
The IUPAC name of ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate (CID 155209422) is ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate.
What is the SMILES notation for ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate?
The canonical SMILES for ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate is CCOC(=O)c1ccc2c(=O)cc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate?
The InChIKey is IKOKVFQJZVOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-18(21)13-8-9-14-16(10-13)19-15(11-17(14)20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate?
ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-2-phenyl-1H-quinoline-7-carboxylate is sourced from PubChem (CID 155209422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).