methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate

C17H14N4O3 — CID 3934673

IUPACmethyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H14N4O3/c1-24-16(22)11-2-4-12(5-3-11)20-17(23)21-13-6-7-14-15(10-13)19-9-8-18-14/h2-10H,1H3,(H2,20,21,23)
InChIKeyFYYDZNWJNKPLCJ-UHFFFAOYSA-N
MW322.32 g/mol
LogP3.06
Rot. Bonds3

About methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate

methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate (PubChem CID 3934673) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate.

Molecular Properties

Compound Namemethyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
PubChem CID3934673
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Namemethyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1
InChIInChI=1S/C17H14N4O3/c1-24-16(22)11-2-4-12(5-3-11)20-17(23)21-13-6-7-14-15(10-13)19-9-8-18-14/h2-10H,1H3,(H2,20,21,23)
InChIKeyFYYDZNWJNKPLCJ-UHFFFAOYSA-N
XLogP3.06
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[5-[(4-methoxycarbonylphenyl)carbamoylamino]-2,6-dimethyl-3-pyridinyl]carbamoylamino]benzoate
CID 23605079
methyl 4-[(4-fluorophenyl)carbamoylamino]benzoate
CID 2402760
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
methyl 4-(1,2-oxazol-3-ylcarbamoylamino)benzoate
CID 108811946
2-(quinoxalin-6-ylcarbamoylamino)propanoic acid
CID 4974593
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
[2-(4-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677388
2-chloro-N-quinoxalin-6-ylpropanamide
CID 60933766
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
N-(3-chloro-4-methoxyphenyl)quinoxaline-6-carboxamide
CID 110690558
methyl 4-[[6-(4-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866836
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860

Frequently Asked Questions

What is the IUPAC name of methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate?
The IUPAC name of methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate (CID 3934673) is methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate.
What is the SMILES notation for methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate?
The canonical SMILES for methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate is COC(=O)c1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1.
What is the InChIKey of methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate?
The InChIKey is FYYDZNWJNKPLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-24-16(22)11-2-4-12(5-3-11)20-17(23)21-13-6-7-14-15(10-13)19-9-8-18-14/h2-10H,1H3,(H2,20,21,23).
What are the key properties of methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate?
methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate has a molecular weight of 322.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(quinoxalin-6-ylcarbamoylamino)benzoate is sourced from PubChem (CID 3934673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).