ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate

C18H15NO3 — CID 67204819

IUPACethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2ccc(O)cc12
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)15-11-17(12-6-4-3-5-7-12)19-16-9-8-13(20)10-14(15)16/h3-11,20H,2H2,1H3
InChIKeyZUTOPXXPRXELNL-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.78
Rot. Bonds3

About ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate

ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate (PubChem CID 67204819) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
PubChem CID67204819
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2ccc(O)cc12
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)15-11-17(12-6-4-3-5-7-12)19-16-9-8-13(20)10-14(15)16/h3-11,20H,2H2,1H3
InChIKeyZUTOPXXPRXELNL-UHFFFAOYSA-N
XLogP3.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-methylpropyl) 2,8-diphenylpyrido[3,2-g]quinoline-4,6-dicarboxylate
CID 171329113
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
N-ethoxy-6-methyl-2-phenylquinoline-4-carboxamide
CID 31098936
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
(2-methoxy-5-methylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7603582
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 6-bromo-2-phenylquinoline-4-carboxylate
CID 31453146
2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
CID 16569364
triethylplumbyl 2-phenylquinoline-4-carboxylate
CID 16683347
ethyl 4-ethoxy-2-phenylquinoline-6-carboxylate
CID 22425101
prop-2-ynyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 91689203
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939

Frequently Asked Questions

What is the IUPAC name of ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate?
The IUPAC name of ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate (CID 67204819) is ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate?
The canonical SMILES for ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2ccc(O)cc12.
What is the InChIKey of ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate?
The InChIKey is ZUTOPXXPRXELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-18(21)15-11-17(12-6-4-3-5-7-12)19-16-9-8-13(20)10-14(15)16/h3-11,20H,2H2,1H3.
What are the key properties of ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate?
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 67204819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).