methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

C19H17N3O4 — CID 46507840

IUPACmethyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C19H17N3O4/c1-12-18(24)22(16-10-6-5-9-15(16)20-12)11-17(23)21-14-8-4-3-7-13(14)19(25)26-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYPIMPDVGUGPDPF-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.13
Rot. Bonds4

About methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate (PubChem CID 46507840) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
PubChem CID46507840
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Namemethyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)Cn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C19H17N3O4/c1-12-18(24)22(16-10-6-5-9-15(16)20-12)11-17(23)21-14-8-4-3-7-13(14)19(25)26-2/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyYPIMPDVGUGPDPF-UHFFFAOYSA-N
XLogP2.13
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
methyl 2-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]amino]benzoate
CID 26067711
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
N-(2-bromophenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324332
methyl 2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
CID 2714539
N-(2-ethylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324349
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
methyl 2-[[2-(3-butyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoate
CID 45030646
methyl (2R)-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylpropanoate
CID 11222698
methyl 2-[[4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 53070062

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate (CID 46507840) is methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The InChIKey is YPIMPDVGUGPDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-12-18(24)22(16-10-6-5-9-15(16)20-12)11-17(23)21-14-8-4-3-7-13(14)19(25)26-2/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate has a molecular weight of 351.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 46507840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).