ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate

C22H24N4O3 — CID 46365119

IUPACethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N(CC)CC
InChIInChI=1S/C22H24N4O3/c1-4-26(5-2)20-19(23-17-13-9-10-14-18(17)24-20)21(27)25-16-12-8-7-11-15(16)22(28)29-6-3/h7-14H,4-6H2,1-3H3,(H,25,27)
InChIKeyZGYWXCQPBMMHAV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.90
Rot. Bonds7

About ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate

ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate (PubChem CID 46365119) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
PubChem CID46365119
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N(CC)CC
InChIInChI=1S/C22H24N4O3/c1-4-26(5-2)20-19(23-17-13-9-10-14-18(17)24-20)21(27)25-16-12-8-7-11-15(16)22(28)29-6-3/h7-14H,4-6H2,1-3H3,(H,25,27)
InChIKeyZGYWXCQPBMMHAV-UHFFFAOYSA-N
XLogP3.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(diethylamino)-N-(2-methylphenyl)quinoxaline-2-carboxamide
CID 46365128
N-(2,5-diethoxyphenyl)-3-(diethylamino)quinoxaline-2-carboxamide
CID 46365153
ethyl 2-[(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)amino]benzoate
CID 110651262
ethyl 2-[(4-methyl-1,3-thiazole-2-carbonyl)amino]benzoate
CID 110696258
ethyl 2-[(4-methoxycarbonylbenzoyl)amino]benzoate
CID 16604959
ethyl 2-[[4-(phenylcarbamoyl)benzoyl]amino]benzoate
CID 109049277
ethyl 2-[[3-[(2-ethoxycarbonylphenyl)carbamoyl]benzoyl]amino]benzoate
CID 4013454
3-(diethylamino)-N-(3,4-difluorophenyl)quinoxaline-2-carboxamide
CID 46365158
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate (CID 46365119) is ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1nc2ccccc2nc1N(CC)CC.
What is the InChIKey of ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate?
The InChIKey is ZGYWXCQPBMMHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-26(5-2)20-19(23-17-13-9-10-14-18(17)24-20)21(27)25-16-12-8-7-11-15(16)22(28)29-6-3/h7-14H,4-6H2,1-3H3,(H,25,27).
What are the key properties of ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate?
ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate has a molecular weight of 392.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(diethylamino)quinoxaline-2-carbonyl]amino]benzoate is sourced from PubChem (CID 46365119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).