ethyl 3-(quinoxaline-2-carbonylamino)benzoate

C18H15N3O3 — CID 3239096

IUPACethyl 3-(quinoxaline-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H15N3O3/c1-2-24-18(23)12-6-5-7-13(10-12)20-17(22)16-11-19-14-8-3-4-9-15(14)21-16/h3-11H,2H2,1H3,(H,20,22)
InChIKeyMBQCDYMTQRDDJC-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.06
Rot. Bonds4

About ethyl 3-(quinoxaline-2-carbonylamino)benzoate

ethyl 3-(quinoxaline-2-carbonylamino)benzoate (PubChem CID 3239096) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is ethyl 3-(quinoxaline-2-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 3-(quinoxaline-2-carbonylamino)benzoate
PubChem CID3239096
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Nameethyl 3-(quinoxaline-2-carbonylamino)benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C18H15N3O3/c1-2-24-18(23)12-6-5-7-13(10-12)20-17(22)16-11-19-14-8-3-4-9-15(14)21-16/h3-11H,2H2,1H3,(H,20,22)
InChIKeyMBQCDYMTQRDDJC-UHFFFAOYSA-N
XLogP3.06
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 6-quinoxalinecarboxylate
CID 2781239
3-Pyridinecarboxylic acid, 5-(benzoylamino)-, ethyl ester
CID 657658
Methyl 4-(4-methylpiperazin-1-yl)-3-(pyridine-3-carbonylamino)benzoate
CID 1872663
Ethyl 3-phenylquinoxaline-6-carboxylate
CID 4641052
Propyl 4-[(pyrazin-2-ylcarbonyl)amino]benzoate
CID 1741049
methyl 3-(1,2-dimethyl-3-oxo-5-(quinoxalin-6-yl)-2,3-dihydro-1H-pyrazol-4-yl)benzoate
CID 16730993
Methyl 4-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]benzoate
CID 146476157
Methyl 5-[7-(piperidine-1-carbonyl)quinoxalin-2-yl]pyridine-2-carboxylate
CID 146476164
Methyl phenazine-1-carboxylate
CID 602126
Ethyl 4-[(2-pyrazinylcarbonyl)amino]benzoate
CID 279843
Diethyl 5-[(2-pyrazinylcarbonyl)amino]isophthalate
CID 1246158
Propyl 3-(3-pyridylcarbonylamino)benzoate
CID 1563227

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(quinoxaline-2-carbonylamino)benzoate?
The IUPAC name of ethyl 3-(quinoxaline-2-carbonylamino)benzoate (CID 3239096) is ethyl 3-(quinoxaline-2-carbonylamino)benzoate.
What is the SMILES notation for ethyl 3-(quinoxaline-2-carbonylamino)benzoate?
The canonical SMILES for ethyl 3-(quinoxaline-2-carbonylamino)benzoate is CCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of ethyl 3-(quinoxaline-2-carbonylamino)benzoate?
The InChIKey is MBQCDYMTQRDDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-24-18(23)12-6-5-7-13(10-12)20-17(22)16-11-19-14-8-3-4-9-15(14)21-16/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of ethyl 3-(quinoxaline-2-carbonylamino)benzoate?
ethyl 3-(quinoxaline-2-carbonylamino)benzoate has a molecular weight of 321.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(quinoxaline-2-carbonylamino)benzoate is sourced from PubChem (CID 3239096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).