triethylplumbyl 2-phenylquinoline-4-carboxylate

C22H25NO2Pb — CID 16683347

IUPACtriethylplumbyl 2-phenylquinoline-4-carboxylate
SMILESCC[Pb](CC)(CC)OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2.3C2H5.Pb/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;3*1-2;/h1-10H,(H,18,19);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyYQAXVIWHHZPOCF-UHFFFAOYSA-M
MW542.65 g/mol
LogP6.06
Rot. Bonds6

About triethylplumbyl 2-phenylquinoline-4-carboxylate

triethylplumbyl 2-phenylquinoline-4-carboxylate (PubChem CID 16683347) has the molecular formula C22H25NO2Pb and a molecular weight of 542.65 g/mol. Its IUPAC name is triethylplumbyl 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Nametriethylplumbyl 2-phenylquinoline-4-carboxylate
PubChem CID16683347
Molecular FormulaC22H25NO2Pb
Molecular Weight542.65 g/mol
Exact Mass543.17
IUPAC Nametriethylplumbyl 2-phenylquinoline-4-carboxylate
SMILESCC[Pb](CC)(CC)OC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H11NO2.3C2H5.Pb/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;3*1-2;/h1-10H,(H,18,19);3*1H2,2H3;/q;;;;+1/p-1
InChIKeyYQAXVIWHHZPOCF-UHFFFAOYSA-M
XLogP6.06
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.65
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
2-chloroprop-2-enyl 2-phenylquinoline-4-carboxylate
CID 16569364
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
prop-2-ynyl 2-(4-methylphenyl)quinoline-4-carboxylate
CID 91689203
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527

Frequently Asked Questions

What is the IUPAC name of triethylplumbyl 2-phenylquinoline-4-carboxylate?
The IUPAC name of triethylplumbyl 2-phenylquinoline-4-carboxylate (CID 16683347) is triethylplumbyl 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for triethylplumbyl 2-phenylquinoline-4-carboxylate?
The canonical SMILES for triethylplumbyl 2-phenylquinoline-4-carboxylate is CC[Pb](CC)(CC)OC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of triethylplumbyl 2-phenylquinoline-4-carboxylate?
The InChIKey is YQAXVIWHHZPOCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H11NO2.3C2H5.Pb/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;3*1-2;/h1-10H,(H,18,19);3*1H2,2H3;/q;;;;+1/p-1.
What are the key properties of triethylplumbyl 2-phenylquinoline-4-carboxylate?
triethylplumbyl 2-phenylquinoline-4-carboxylate has a molecular weight of 542.65 g/mol, XLogP of 6.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethylplumbyl 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 16683347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).