methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate

C22H18N4O5 — CID 51369342

IUPACmethyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(C)no2)c2ccccc21
InChIInChI=1S/C22H18N4O5/c1-13-23-21(31-25-13)16-11-20(28)26(18-10-6-4-7-14(16)18)12-19(27)24-17-9-5-3-8-15(17)22(29)30-2/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyKRIJRSGQOUGNEI-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.79
Rot. Bonds5

About methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate

methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate (PubChem CID 51369342) has the molecular formula C22H18N4O5 and a molecular weight of 418.41 g/mol. Its IUPAC name is methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate
PubChem CID51369342
Molecular FormulaC22H18N4O5
Molecular Weight418.41 g/mol
Exact Mass418.13
IUPAC Namemethyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(C)no2)c2ccccc21
InChIInChI=1S/C22H18N4O5/c1-13-23-21(31-25-13)16-11-20(28)26(18-10-6-4-7-14(16)18)12-19(27)24-17-9-5-3-8-15(17)22(29)30-2/h3-11H,12H2,1-2H3,(H,24,27)
InChIKeyKRIJRSGQOUGNEI-UHFFFAOYSA-N
XLogP2.79
TPSA116.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate with MolForge

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Related Compounds

N-(2-ethylphenyl)-2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 53143785
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 53143847
N-(4-fluoro-2-methylphenyl)-2-[2-oxo-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 53143832
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 51369422
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53143817
N-(2-fluoro-4-methylphenyl)-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369651
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
methyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzoate
CID 935456
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 46507840
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 46507732
N-[(2-methylphenyl)methyl]-2-[2-oxo-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)quinolin-1-yl]acetamide
CID 51369675
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate (CID 51369342) is methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(-c2nc(C)no2)c2ccccc21.
What is the InChIKey of methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate?
The InChIKey is KRIJRSGQOUGNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O5/c1-13-23-21(31-25-13)16-11-20(28)26(18-10-6-4-7-14(16)18)12-19(27)24-17-9-5-3-8-15(17)22(29)30-2/h3-11H,12H2,1-2H3,(H,24,27).
What are the key properties of methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate has a molecular weight of 418.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 51369342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).