methyl 4-(quinoxaline-6-carbonylamino)benzoate

C17H13N3O3 — CID 873016

IUPACmethyl 4-(quinoxaline-6-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H13N3O3/c1-23-17(22)11-2-5-13(6-3-11)20-16(21)12-4-7-14-15(10-12)19-9-8-18-14/h2-10H,1H3,(H,20,21)
InChIKeyXDXACPHIPZCDHA-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.67
Rot. Bonds3

About methyl 4-(quinoxaline-6-carbonylamino)benzoate

methyl 4-(quinoxaline-6-carbonylamino)benzoate (PubChem CID 873016) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is methyl 4-(quinoxaline-6-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(quinoxaline-6-carbonylamino)benzoate
PubChem CID873016
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Namemethyl 4-(quinoxaline-6-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H13N3O3/c1-23-17(22)11-2-5-13(6-3-11)20-16(21)12-4-7-14-15(10-12)19-9-8-18-14/h2-10H,1H3,(H,20,21)
InChIKeyXDXACPHIPZCDHA-UHFFFAOYSA-N
XLogP2.67
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(quinoxaline-6-carbonylamino)benzoate?
The IUPAC name of methyl 4-(quinoxaline-6-carbonylamino)benzoate (CID 873016) is methyl 4-(quinoxaline-6-carbonylamino)benzoate.
What is the SMILES notation for methyl 4-(quinoxaline-6-carbonylamino)benzoate?
The canonical SMILES for methyl 4-(quinoxaline-6-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)c2ccc3nccnc3c2)cc1.
What is the InChIKey of methyl 4-(quinoxaline-6-carbonylamino)benzoate?
The InChIKey is XDXACPHIPZCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c1-23-17(22)11-2-5-13(6-3-11)20-16(21)12-4-7-14-15(10-12)19-9-8-18-14/h2-10H,1H3,(H,20,21).
What are the key properties of methyl 4-(quinoxaline-6-carbonylamino)benzoate?
methyl 4-(quinoxaline-6-carbonylamino)benzoate has a molecular weight of 307.31 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(quinoxaline-6-carbonylamino)benzoate is sourced from PubChem (CID 873016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).