ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate

C19H25N3O4 — CID 17441019

IUPACethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(CCC(=O)NC(C)C)c(=O)n(CC)c2c1
InChIInChI=1S/C19H25N3O4/c1-5-22-16-11-13(19(25)26-6-2)7-8-14(16)21-15(18(22)24)9-10-17(23)20-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,23)
InChIKeyPJRWZLCXQUQATE-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.05
Rot. Bonds7

About ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate

ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate (PubChem CID 17441019) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate
PubChem CID17441019
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(CCC(=O)NC(C)C)c(=O)n(CC)c2c1
InChIInChI=1S/C19H25N3O4/c1-5-22-16-11-13(19(25)26-6-2)7-8-14(16)21-15(18(22)24)9-10-17(23)20-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,23)
InChIKeyPJRWZLCXQUQATE-UHFFFAOYSA-N
XLogP2.05
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 3-methyl-2-propylbenzimidazole-5-carboxylate
CID 18681035
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673815
ethyl 6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridine-3-carboxylate
CID 115579646
ethyl 3-[(2-chloro-4-methoxycarbonylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467652
ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
CID 18681064
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 1-ethyl-2-[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 18201423
[2-(2-methoxyethylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7519039
ethyl 1-ethyl-2-[2-(methylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 3987529

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate?
The IUPAC name of ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate (CID 17441019) is ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate?
The canonical SMILES for ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate is CCOC(=O)c1ccc2nc(CCC(=O)NC(C)C)c(=O)n(CC)c2c1.
What is the InChIKey of ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate?
The InChIKey is PJRWZLCXQUQATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-5-22-16-11-13(19(25)26-6-2)7-8-14(16)21-15(18(22)24)9-10-17(23)20-12(3)4/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,20,23).
What are the key properties of ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate?
ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-3-oxo-2-[3-oxo-3-(propan-2-ylamino)propyl]quinoxaline-6-carboxylate is sourced from PubChem (CID 17441019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).