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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Related Compounds

methyl 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoate
CID 58767708
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
tert-butyl 4-(2-fluoro-5-methoxycarbonylphenyl)piperazine-1-carboxylate
CID 164879195
tert-butyl 5-(pentylamino)-2,3-dihydroindole-1-carboxylate
CID 107242303
methyl 3-(hexanoylamino)-4-(4-methylpiperazin-1-yl)benzoate
CID 17099072
methyl 4-(cyclopropylmethyl)-1-(3-sulfanylpropanoyl)-2,3-dihydroquinoxaline-6-carboxylate
CID 146676972
tert-butyl 6-acetyl-4,4-difluoro-2,3-dihydroquinoline-1-carboxylate
CID 155894795
tert-butyl (4S)-4-methyl-6-propanoyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 158764462
tert-butyl 4-(2-ethyl-4-methoxycarbonylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 130211477
tert-butyl 4-(4-methoxycarbonyl-2-nitrophenyl)piperazine-1-carboxylate
CID 66598073
tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 90730266
methyl 1-ethyl-3,4-dihydro-2H-quinoline-7-carboxylate
CID 134691949

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).