ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate

C28H26N2O6 — CID 139803936

IUPACethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C28H26N2O6/c1-4-35-28(32)26(30-27(31)19-8-6-5-7-9-19)18-10-12-20(13-11-18)36-23-14-15-29-22-17-25(34-3)24(33-2)16-21(22)23/h5-17,26H,4H2,1-3H3,(H,30,31)
InChIKeyMASUQICIRNGNTD-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.08
Rot. Bonds9

About ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate

ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate (PubChem CID 139803936) has the molecular formula C28H26N2O6 and a molecular weight of 486.52 g/mol. Its IUPAC name is ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
PubChem CID139803936
Molecular FormulaC28H26N2O6
Molecular Weight486.52 g/mol
Exact Mass486.18
IUPAC Nameethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate
SMILESCCOC(=O)C(NC(=O)c1ccccc1)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C28H26N2O6/c1-4-35-28(32)26(30-27(31)19-8-6-5-7-9-19)18-10-12-20(13-11-18)36-23-14-15-29-22-17-25(34-3)24(33-2)16-21(22)23/h5-17,26H,4H2,1-3H3,(H,30,31)
InChIKeyMASUQICIRNGNTD-UHFFFAOYSA-N
XLogP5.08
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate with MolForge

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Related Compounds

ethyl 2-benzamido-2-(3,4,5-trimethoxyphenyl)acetate
CID 134847437
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate
CID 139803948
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
cyclopentyl (2S)-2-[3-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxypropylamino]-2-phenylacetate
CID 15605215
cyclopentyl (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetate
CID 15605353
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
CID 167614869
cyclohexyl (2S)-2-[4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutylamino]-2-phenylacetate
CID 143322373
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
N-benzyl-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-2-carboxamide
CID 67520391
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
CID 71377074
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate?
The IUPAC name of ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate (CID 139803936) is ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate.
What is the SMILES notation for ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate?
The canonical SMILES for ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate is CCOC(=O)C(NC(=O)c1ccccc1)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate?
The InChIKey is MASUQICIRNGNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O6/c1-4-35-28(32)26(30-27(31)19-8-6-5-7-9-19)18-10-12-20(13-11-18)36-23-14-15-29-22-17-25(34-3)24(33-2)16-21(22)23/h5-17,26H,4H2,1-3H3,(H,30,31).
What are the key properties of ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate?
ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate has a molecular weight of 486.52 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzamido-2-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetate is sourced from PubChem (CID 139803936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).