methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate

C19H16N2O4 — CID 26217849

IUPACmethyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O4/c1-24-19(23)14-7-9-15(10-8-14)21-17(22)12-25-16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyZKNXWKBLHWFJTA-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.04
Rot. Bonds5

About methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate

methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate (PubChem CID 26217849) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
PubChem CID26217849
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Namemethyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2cccc3cccnc23)cc1
InChIInChI=1S/C19H16N2O4/c1-24-19(23)14-7-9-15(10-8-14)21-17(22)12-25-16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,22)
InChIKeyZKNXWKBLHWFJTA-UHFFFAOYSA-N
XLogP3.04
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[3-oxo-3-(quinolin-8-ylamino)propanoyl]amino]benzoate
CID 108956372
N-(3-acetylphenyl)-2-quinolin-8-yloxyacetamide
CID 2595236
N-(3-fluoro-4-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 7893982
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
methyl 4-[[2-(2-ethylphenoxy)acetyl]amino]benzoate
CID 19175752
1-phenyl-3-[(2-quinolin-8-yloxyacetyl)amino]urea
CID 2981274
N-(2-ethylphenyl)-2-quinolin-8-yloxyacetamide
CID 40655687
N-(2,3-dimethylphenyl)-2-quinolin-8-yloxyacetamide
CID 94221258
N-tert-butyl-2-quinolin-8-yloxyacetamide
CID 7893996
N',N'-dimethyl-2-quinolin-8-yloxyacetohydrazide
CID 116820845
N-(2-tert-butylphenyl)-2-quinolin-8-yloxyacetamide
CID 31050049
N-(3-chloro-2-methylphenyl)-2-quinolin-8-yloxyacetamide
CID 99839855

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate (CID 26217849) is methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate is COC(=O)c1ccc(NC(=O)COc2cccc3cccnc23)cc1.
What is the InChIKey of methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate?
The InChIKey is ZKNXWKBLHWFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-24-19(23)14-7-9-15(10-8-14)21-17(22)12-25-16-6-2-4-13-5-3-11-20-18(13)16/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate?
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate has a molecular weight of 336.35 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate is sourced from PubChem (CID 26217849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).