[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C28H22N2O5 — CID 55366832

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3n2)cc1
InChIInChI=1S/C28H22N2O5/c1-34-20-10-6-17(7-11-20)25-15-22(21-4-2-3-5-24(21)29-25)28(33)35-16-26(31)19-8-12-23-18(14-19)9-13-27(32)30-23/h2-8,10-12,14-15H,9,13,16H2,1H3,(H,30,32)
InChIKeyFCJFPXHJCWQICK-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.83
Rot. Bonds6

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 55366832) has the molecular formula C28H22N2O5 and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID55366832
Molecular FormulaC28H22N2O5
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3n2)cc1
InChIInChI=1S/C28H22N2O5/c1-34-20-10-6-17(7-11-20)25-15-22(21-4-2-3-5-24(21)29-25)28(33)35-16-26(31)19-8-12-23-18(14-19)9-13-27(32)30-23/h2-8,10-12,14-15H,9,13,16H2,1H3,(H,30,32)
InChIKeyFCJFPXHJCWQICK-UHFFFAOYSA-N
XLogP4.83
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 55366832) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3n2)cc1.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is FCJFPXHJCWQICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O5/c1-34-20-10-6-17(7-11-20)25-15-22(21-4-2-3-5-24(21)29-25)28(33)35-16-26(31)19-8-12-23-18(14-19)9-13-27(32)30-23/h2-8,10-12,14-15H,9,13,16H2,1H3,(H,30,32).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 466.49 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 55366832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).