ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate

C27H30N2O4 — CID 58656864

IUPACethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc(-c3ccccc3)oc2C)CC1CC
InChIInChI=1S/C27H30N2O4/c1-6-21-16-28(23-13-17(3)18(4)14-24(23)29(21)27(31)32-7-2)26(30)22-15-25(33-19(22)5)20-11-9-8-10-12-20/h8-15,21H,6-7,16H2,1-5H3
InChIKeyXCFBLSDBHBQZPT-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.27
Rot. Bonds4

About ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate

ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656864) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656864
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Nameethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc(-c3ccccc3)oc2C)CC1CC
InChIInChI=1S/C27H30N2O4/c1-6-21-16-28(23-13-17(3)18(4)14-24(23)29(21)27(31)32-7-2)26(30)22-15-25(33-19(22)5)20-11-9-8-10-12-20/h8-15,21H,6-7,16H2,1-5H3
InChIKeyXCFBLSDBHBQZPT-UHFFFAOYSA-N
XLogP6.27
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 58656864) is ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2cc(-c3ccccc3)oc2C)CC1CC.
What is the InChIKey of ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is XCFBLSDBHBQZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-6-21-16-28(23-13-17(3)18(4)14-24(23)29(21)27(31)32-7-2)26(30)22-15-25(33-19(22)5)20-11-9-8-10-12-20/h8-15,21H,6-7,16H2,1-5H3.
What are the key properties of ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 446.55 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6,7-dimethyl-4-(2-methyl-5-phenylfuran-3-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).