1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate

C19H28N2O4 — CID 57487387

IUPAC1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate
SMILESCCCCN1CCN(C(=O)OC(C)(C)C)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C19H28N2O4/c1-6-7-10-20-11-12-21(18(23)25-19(2,3)4)15-9-8-14(13-16(15)20)17(22)24-5/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyQTIXPBYRDUBILC-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.83
Rot. Bonds4

About 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate

1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate (PubChem CID 57487387) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate
PubChem CID57487387
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate
SMILESCCCCN1CCN(C(=O)OC(C)(C)C)c2ccc(C(=O)OC)cc21
InChIInChI=1S/C19H28N2O4/c1-6-7-10-20-11-12-21(18(23)25-19(2,3)4)15-9-8-14(13-16(15)20)17(22)24-5/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyQTIXPBYRDUBILC-UHFFFAOYSA-N
XLogP3.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate (CID 57487387) is 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate is CCCCN1CCN(C(=O)OC(C)(C)C)c2ccc(C(=O)OC)cc21.
What is the InChIKey of 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate?
The InChIKey is QTIXPBYRDUBILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-7-10-20-11-12-21(18(23)25-19(2,3)4)15-9-8-14(13-16(15)20)17(22)24-5/h8-9,13H,6-7,10-12H2,1-5H3.
What are the key properties of 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate?
1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate has a molecular weight of 348.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 6-O-methyl 4-butyl-2,3-dihydroquinoxaline-1,6-dicarboxylate is sourced from PubChem (CID 57487387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).