methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

C26H22N2O4 — CID 10764902

IUPACmethyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-31-23-15-9-7-13-19(23)22-16-20(18-12-6-8-14-21(18)27-22)25(29)28-24(26(30)32-2)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,29)
InChIKeyHGDYAOUYHUAAAG-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.55
Rot. Bonds6

About methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate

methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (PubChem CID 10764902) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
PubChem CID10764902
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Namemethyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H22N2O4/c1-31-23-15-9-7-13-19(23)22-16-20(18-12-6-8-14-21(18)27-22)25(29)28-24(26(30)32-2)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,29)
InChIKeyHGDYAOUYHUAAAG-UHFFFAOYSA-N
XLogP4.55
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The IUPAC name of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate (CID 10764902) is methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is COC(=O)C(NC(=O)c1cc(-c2ccccc2OC)nc2ccccc12)c1ccccc1.
What is the InChIKey of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
The InChIKey is HGDYAOUYHUAAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-31-23-15-9-7-13-19(23)22-16-20(18-12-6-8-14-21(18)27-22)25(29)28-24(26(30)32-2)17-10-4-3-5-11-17/h3-16,24H,1-2H3,(H,28,29).
What are the key properties of methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate?
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate has a molecular weight of 426.47 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]-2-phenylacetate is sourced from PubChem (CID 10764902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).