methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate

C21H19N3O4 — CID 113178761

IUPACmethyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C21H19N3O4/c1-14(25)24(18-11-5-7-15-8-6-12-22-20(15)18)13-19(26)23-17-10-4-3-9-16(17)21(27)28-2/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyWIMOFZGGZYJOSW-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.01
Rot. Bonds5

About methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate

methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate (PubChem CID 113178761) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
PubChem CID113178761
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN(C(C)=O)c1cccc2cccnc12
InChIInChI=1S/C21H19N3O4/c1-14(25)24(18-11-5-7-15-8-6-12-22-20(15)18)13-19(26)23-17-10-4-3-9-16(17)21(27)28-2/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyWIMOFZGGZYJOSW-UHFFFAOYSA-N
XLogP3.01
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate with MolForge

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Related Compounds

2-[N-acetyl-2-(trifluoromethyl)anilino]-N-quinolin-8-ylacetamide
CID 113175089
2-[acetyl(quinolin-8-yl)amino]-N-(2,4-difluorophenyl)acetamide
CID 113178774
methyl 2-[[2-(N-acetyl-2-ethoxycarbonylanilino)acetyl]amino]benzoate
CID 113180607
2-[acetyl(quinolin-8-yl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 113178753
N-(4-acetylphenyl)-2-[acetyl(quinolin-8-yl)amino]acetamide
CID 113178758
2-[acetyl(quinolin-8-yl)amino]-N-(4-bromophenyl)acetamide
CID 113178742
methyl 2-[acetyl-[2-(2-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113176130
2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-quinolin-8-ylacetamide
CID 113180385
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113178693
2-[acetyl(quinolin-8-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113178675
2-[acetyl(quinolin-8-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113178677
2-[acetyl(quinolin-8-yl)amino]-N-pentylacetamide
CID 113178698

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate (CID 113178761) is methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN(C(C)=O)c1cccc2cccnc12.
What is the InChIKey of methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate?
The InChIKey is WIMOFZGGZYJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c1-14(25)24(18-11-5-7-15-8-6-12-22-20(15)18)13-19(26)23-17-10-4-3-9-16(17)21(27)28-2/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate?
methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate has a molecular weight of 377.40 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[acetyl(quinolin-8-yl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 113178761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).