3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate

C82H88N10O25 — CID 165044029

IUPAC3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.CCOC(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.CCOC(=O)OCOCCCn1c(=O)c(=O)[nH]c2ccccc21.COc1ccccc1C(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.Cc1ccc(C(=O)OCCCn2c(=O)c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C19H18N2O5.C19H18N2O4.C15H18N2O6.C15H18N2O5.C14H16N2O5/c1-25-16-10-5-2-7-13(16)19(24)26-12-6-11-21-15-9-4-3-8-14(15)20-17(22)18(21)23;1-13-7-9-14(10-8-13)19(24)25-12-4-11-21-16-6-3-2-5-15(16)20-17(22)18(21)23;1-2-22-15(20)23-10-21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19;1-10(2)22-15(20)21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19;1-2-20-14(19)21-9-5-8-16-11-7-4-3-6-10(11)15-12(17)13(16)18/h2-5,7-10H,6,11-12H2,1H3,(H,20,22);2-3,5-10H,4,11-12H2,1H3,(H,20,22);3-4,6-7H,2,5,8-10H2,1H3,(H,16,18);3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18);3-4,6-7H,2,5,8-9H2,1H3,(H,15,17)
InChIKeyOPEAKRCMQPFQNR-UHFFFAOYSA-N
MW1613.65 g/mol
LogP8.31
Rot. Bonds28

About 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate

3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate (PubChem CID 165044029) has the molecular formula C82H88N10O25 and a molecular weight of 1613.65 g/mol. Its IUPAC name is 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate.

Molecular Properties

Compound Name3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate
PubChem CID165044029
Molecular FormulaC82H88N10O25
Molecular Weight1613.65 g/mol
Exact Mass1612.59
IUPAC Name3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate
SMILESCC(C)OC(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.CCOC(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.CCOC(=O)OCOCCCn1c(=O)c(=O)[nH]c2ccccc21.COc1ccccc1C(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.Cc1ccc(C(=O)OCCCn2c(=O)c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C19H18N2O5.C19H18N2O4.C15H18N2O6.C15H18N2O5.C14H16N2O5/c1-25-16-10-5-2-7-13(16)19(24)26-12-6-11-21-15-9-4-3-8-14(15)20-17(22)18(21)23;1-13-7-9-14(10-8-13)19(24)25-12-4-11-21-16-6-3-2-5-15(16)20-17(22)18(21)23;1-2-22-15(20)23-10-21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19;1-10(2)22-15(20)21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19;1-2-20-14(19)21-9-5-8-16-11-7-4-3-6-10(11)15-12(17)13(16)18/h2-5,7-10H,6,11-12H2,1H3,(H,20,22);2-3,5-10H,4,11-12H2,1H3,(H,20,22);3-4,6-7H,2,5,8-10H2,1H3,(H,16,18);3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18);3-4,6-7H,2,5,8-9H2,1H3,(H,15,17)
InChIKeyOPEAKRCMQPFQNR-UHFFFAOYSA-N
XLogP8.31
TPSA451.95 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.65
LogP ≤ 58.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate with MolForge

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Related Compounds

3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate
CID 163261612
3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
CID 163261574
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-ethoxy-3-methoxybenzoate
CID 16516114
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2,4-dimethylbenzoate
CID 9107930
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3,5-dimethylbenzoate
CID 16523706
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methoxy-4-methylsulfanylbenzoate
CID 9114936
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(hydroxymethyl)benzoate
CID 2686185
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-methyl-1,3-dioxoisoindole-5-carboxylate
CID 22109797
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-(4-acetyloxyphenyl)benzoate
CID 16526335
3-(2-oxo-3H-benzimidazol-1-yl)propyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578286
3-(2-oxo-3H-benzimidazol-1-yl)propyl 2-ethoxypyridine-3-carboxylate
CID 2685931

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate?
The IUPAC name of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate (CID 165044029) is 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate.
What is the SMILES notation for 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate?
The canonical SMILES for 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate is CC(C)OC(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.CCOC(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.CCOC(=O)OCOCCCn1c(=O)c(=O)[nH]c2ccccc21.COc1ccccc1C(=O)OCCCn1c(=O)c(=O)[nH]c2ccccc21.Cc1ccc(C(=O)OCCCn2c(=O)c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate?
The InChIKey is OPEAKRCMQPFQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5.C19H18N2O4.C15H18N2O6.C15H18N2O5.C14H16N2O5/c1-25-16-10-5-2-7-13(16)19(24)26-12-6-11-21-15-9-4-3-8-14(15)20-17(22)18(21)23;1-13-7-9-14(10-8-13)19(24)25-12-4-11-21-16-6-3-2-5-15(16)20-17(22)18(21)23;1-2-22-15(20)23-10-21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19;1-10(2)22-15(20)21-9-5-8-17-12-7-4-3-6-11(12)16-13(18)14(17)19;1-2-20-14(19)21-9-5-8-16-11-7-4-3-6-10(11)15-12(17)13(16)18/h2-5,7-10H,6,11-12H2,1H3,(H,20,22);2-3,5-10H,4,11-12H2,1H3,(H,20,22);3-4,6-7H,2,5,8-10H2,1H3,(H,16,18);3-4,6-7,10H,5,8-9H2,1-2H3,(H,16,18);3-4,6-7H,2,5,8-9H2,1H3,(H,15,17).
What are the key properties of 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate?
3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate has a molecular weight of 1613.65 g/mol, XLogP of 8.31, 28 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dioxo-4H-quinoxalin-1-yl)propoxymethyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl ethyl carbonate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methoxybenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 4-methylbenzoate;3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl propan-2-yl carbonate is sourced from PubChem (CID 165044029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).