ethyl 2-(quinoxaline-6-carbonylamino)benzoate

C18H15N3O3 — CID 2573987

IUPACethyl 2-(quinoxaline-6-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H15N3O3/c1-2-24-18(23)13-5-3-4-6-14(13)21-17(22)12-7-8-15-16(11-12)20-10-9-19-15/h3-11H,2H2,1H3,(H,21,22)
InChIKeyRBWDIAQASDAEAH-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.06
Rot. Bonds4

About ethyl 2-(quinoxaline-6-carbonylamino)benzoate

ethyl 2-(quinoxaline-6-carbonylamino)benzoate (PubChem CID 2573987) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is ethyl 2-(quinoxaline-6-carbonylamino)benzoate.

Molecular Properties

Compound Nameethyl 2-(quinoxaline-6-carbonylamino)benzoate
PubChem CID2573987
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Nameethyl 2-(quinoxaline-6-carbonylamino)benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1
InChIInChI=1S/C18H15N3O3/c1-2-24-18(23)13-5-3-4-6-14(13)21-17(22)12-7-8-15-16(11-12)20-10-9-19-15/h3-11H,2H2,1H3,(H,21,22)
InChIKeyRBWDIAQASDAEAH-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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(quinoxaline-6-carbonylamino)benzoate?
The IUPAC name of ethyl 2-(quinoxaline-6-carbonylamino)benzoate (CID 2573987) is ethyl 2-(quinoxaline-6-carbonylamino)benzoate.
What is the SMILES notation for ethyl 2-(quinoxaline-6-carbonylamino)benzoate?
The canonical SMILES for ethyl 2-(quinoxaline-6-carbonylamino)benzoate is CCOC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1.
What is the InChIKey of ethyl 2-(quinoxaline-6-carbonylamino)benzoate?
The InChIKey is RBWDIAQASDAEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-2-24-18(23)13-5-3-4-6-14(13)21-17(22)12-7-8-15-16(11-12)20-10-9-19-15/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of ethyl 2-(quinoxaline-6-carbonylamino)benzoate?
ethyl 2-(quinoxaline-6-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 2-(quinoxaline-6-carbonylamino)benzoate is sourced from PubChem (CID 2573987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).