methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate

C19H20N2O4 — CID 90640857

IUPACmethyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1
InChIInChI=1S/C19H20N2O4/c1-24-19(23)13-6-8-14(9-7-13)21-18(22)12-25-17-10-11-20-16-5-3-2-4-15(16)17/h6-11H,2-5,12H2,1H3,(H,21,22)
InChIKeyGUCCYHXBBLTAQI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.76
Rot. Bonds5

About methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate

methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate (PubChem CID 90640857) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
PubChem CID90640857
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1
InChIInChI=1S/C19H20N2O4/c1-24-19(23)13-6-8-14(9-7-13)21-18(22)12-25-17-10-11-20-16-5-3-2-4-15(16)17/h6-11H,2-5,12H2,1H3,(H,21,22)
InChIKeyGUCCYHXBBLTAQI-UHFFFAOYSA-N
XLogP2.76
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate with MolForge

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Related Compounds

N-(4-methylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640820
N-(4-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641021
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641003
N-(4-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640835
N-pyridin-3-yl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640912
2-(5,6,7,8-tetrahydroquinolin-4-yloxy)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 90640680
N-butyl-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640746
N-(2-methyl-5-nitrophenyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640899
methyl 4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoate
CID 720624
N-[2-(diethylamino)ethyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640769
N-[(4-chlorophenyl)methyl]-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90640789
methyl 4-[(2-quinolin-8-yloxyacetyl)amino]benzoate
CID 26217849

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate (CID 90640857) is methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1.
What is the InChIKey of methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate?
The InChIKey is GUCCYHXBBLTAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-19(23)13-6-8-14(9-7-13)21-18(22)12-25-17-10-11-20-16-5-3-2-4-15(16)17/h6-11H,2-5,12H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate?
methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetyl]amino]benzoate is sourced from PubChem (CID 90640857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).