ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

C23H27BrN2O4 — CID 58656854

IUPACethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(OC)c(Br)c2)CC1CC
InChIInChI=1S/C23H27BrN2O4/c1-6-17-13-25(22(27)16-8-9-21(29-5)18(24)12-16)19-10-14(3)15(4)11-20(19)26(17)23(28)30-7-2/h8-12,17H,6-7,13H2,1-5H3
InChIKeyFBIWOOJXXHEKLK-UHFFFAOYSA-N
MW475.38 g/mol
LogP5.48
Rot. Bonds4

About ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate

ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656854) has the molecular formula C23H27BrN2O4 and a molecular weight of 475.38 g/mol. Its IUPAC name is ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656854
Molecular FormulaC23H27BrN2O4
Molecular Weight475.38 g/mol
Exact Mass474.12
IUPAC Nameethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(OC)c(Br)c2)CC1CC
InChIInChI=1S/C23H27BrN2O4/c1-6-17-13-25(22(27)16-8-9-21(29-5)18(24)12-16)19-10-14(3)15(4)11-20(19)26(17)23(28)30-7-2/h8-12,17H,6-7,13H2,1-5H3
InChIKeyFBIWOOJXXHEKLK-UHFFFAOYSA-N
XLogP5.48
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate with MolForge

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Related Compounds

ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656887
ethyl 2-ethyl-6,7-dimethyl-4-(4-methylsulfanylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656767
ethyl 2-ethyl-6,7-dimethyl-4-(4-propylbenzoyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656569
ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656564
ethyl 4-(2-bromo-5-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656557
ethyl 4-(2-bromo-3-methylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656546
ethyl 2-ethyl-4-(5-fluoro-2-methylbenzoyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656957
ethyl 4-(2-chloro-3-methylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656720
ethyl 4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzoyl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945267
ethyl 4-(2-bromo-5-methylbenzoyl)-2-(hydroxymethyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945309
ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656548
ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656612

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate (CID 58656854) is ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc(OC)c(Br)c2)CC1CC.
What is the InChIKey of ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is FBIWOOJXXHEKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27BrN2O4/c1-6-17-13-25(22(27)16-8-9-21(29-5)18(24)12-16)19-10-14(3)15(4)11-20(19)26(17)23(28)30-7-2/h8-12,17H,6-7,13H2,1-5H3.
What are the key properties of ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 475.38 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-bromo-4-methoxybenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).