[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate

C27H23NO6 — CID 23733264

IUPAC[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
SMILESCOc1cc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C27H23NO6/c1-31-24-13-18(14-25(32-2)26(24)33-3)23(29)16-34-27(30)20-15-22(17-9-5-4-6-10-17)28-21-12-8-7-11-19(20)21/h4-15H,16H2,1-3H3
InChIKeyXPRISVPFDJLLBW-UHFFFAOYSA-N
MW457.48 g/mol
LogP4.97
Rot. Bonds8

About [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate

[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate (PubChem CID 23733264) has the molecular formula C27H23NO6 and a molecular weight of 457.48 g/mol. Its IUPAC name is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
PubChem CID23733264
Molecular FormulaC27H23NO6
Molecular Weight457.48 g/mol
Exact Mass457.15
IUPAC Name[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate
SMILESCOc1cc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C27H23NO6/c1-31-24-13-18(14-25(32-2)26(24)33-3)23(29)16-34-27(30)20-15-22(17-9-5-4-6-10-17)28-21-12-8-7-11-19(20)21/h4-15H,16H2,1-3H3
InChIKeyXPRISVPFDJLLBW-UHFFFAOYSA-N
XLogP4.97
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate
CID 16530903
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 23937440
2-methoxyethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 32773013
benzyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2366983
[2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2527059
naphthalen-1-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 3310095
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238
[2-(4-fluorophenyl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 5037527
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3497845
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate (CID 23733264) is [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate is COc1cc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC.
What is the InChIKey of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate?
The InChIKey is XPRISVPFDJLLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO6/c1-31-24-13-18(14-25(32-2)26(24)33-3)23(29)16-34-27(30)20-15-22(17-9-5-4-6-10-17)28-21-12-8-7-11-19(20)21/h4-15H,16H2,1-3H3.
What are the key properties of [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate?
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate has a molecular weight of 457.48 g/mol, XLogP of 4.97, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 23733264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).