methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

C18H14FN3O4 — CID 25480937

IUPACmethyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)ccc1F
InChIInChI=1S/C18H14FN3O4/c1-26-18(25)12-8-11(6-7-13(12)19)21-16(23)10-22-15-5-3-2-4-14(15)20-9-17(22)24/h2-9H,10H2,1H3,(H,21,23)
InChIKeyJCCVEIMVLIQBAM-UHFFFAOYSA-N
MW355.33 g/mol
LogP1.96
Rot. Bonds4

About methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate

methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate (PubChem CID 25480937) has the molecular formula C18H14FN3O4 and a molecular weight of 355.33 g/mol. Its IUPAC name is methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
PubChem CID25480937
Molecular FormulaC18H14FN3O4
Molecular Weight355.33 g/mol
Exact Mass355.10
IUPAC Namemethyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)ccc1F
InChIInChI=1S/C18H14FN3O4/c1-26-18(25)12-8-11(6-7-13(12)19)21-16(23)10-22-15-5-3-2-4-14(15)20-9-17(22)24/h2-9H,10H2,1H3,(H,21,23)
InChIKeyJCCVEIMVLIQBAM-UHFFFAOYSA-N
XLogP1.96
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-methyl-3-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzamide
CID 18146174
butyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 2469455
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9299745
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate (CID 25480937) is methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate is COC(=O)c1cc(NC(=O)Cn2c(=O)cnc3ccccc32)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
The InChIKey is JCCVEIMVLIQBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O4/c1-26-18(25)12-8-11(6-7-13(12)19)21-16(23)10-22-15-5-3-2-4-14(15)20-9-17(22)24/h2-9H,10H2,1H3,(H,21,23).
What are the key properties of methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate?
methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate has a molecular weight of 355.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 25480937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).