methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

C18H15N3O4 — CID 26098218

IUPACmethyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C18H15N3O4/c1-25-18(24)12-6-8-13(9-7-12)20-16(22)11-21-15-5-3-2-4-14(15)19-10-17(21)23/h2-10H,11H2,1H3,(H,20,22)
InChIKeyWCOJSGQRZKTTGK-UHFFFAOYSA-N
MW337.34 g/mol
LogP1.82
Rot. Bonds4

About methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate (PubChem CID 26098218) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
PubChem CID26098218
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC Namemethyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1
InChIInChI=1S/C18H15N3O4/c1-25-18(24)12-6-8-13(9-7-12)20-16(22)11-21-15-5-3-2-4-14(15)19-10-17(21)23/h2-10H,11H2,1H3,(H,20,22)
InChIKeyWCOJSGQRZKTTGK-UHFFFAOYSA-N
XLogP1.82
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
butyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 2469455
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 25480937
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9299745
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
methyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 645249
methyl 4-[[2-(2-oxo-1,3-benzothiazol-3-yl)acetyl]amino]benzoate
CID 22423105
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 99808384

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate (CID 26098218) is methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1.
What is the InChIKey of methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The InChIKey is WCOJSGQRZKTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-18(24)12-6-8-13(9-7-12)20-16(22)11-21-15-5-3-2-4-14(15)19-10-17(21)23/h2-10H,11H2,1H3,(H,20,22).
What are the key properties of methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate has a molecular weight of 337.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 26098218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).