tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate

C19H30N2O2 — CID 84645694

IUPACtert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)c2c(cccc2C(C)(C)C)N1
InChIInChI=1S/C19H30N2O2/c1-17(2,3)13-10-9-11-14-15(13)21(12-19(7,8)20-14)16(22)23-18(4,5)6/h9-11,20H,12H2,1-8H3
InChIKeyXJLSHJRWJKCQQS-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.93
Rot. Bonds

About tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate

tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 84645694) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID84645694
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate
SMILESCC1(C)CN(C(=O)OC(C)(C)C)c2c(cccc2C(C)(C)C)N1
InChIInChI=1S/C19H30N2O2/c1-17(2,3)13-10-9-11-14-15(13)21(12-19(7,8)20-14)16(22)23-18(4,5)6/h9-11,20H,12H2,1-8H3
InChIKeyXJLSHJRWJKCQQS-UHFFFAOYSA-N
XLogP4.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3,3,5,6-tetramethyl-2,4-dihydroquinoxaline-1-carboxylate
CID 84643830
tert-butyl 7-cyano-3,3-dimethyl-2H-indole-1-carboxylate
CID 130269109
tert-butyl 4-iodospiro[1,2-dihydroindole-3,3'-azetidine]-1'-carboxylate
CID 169434669
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
1-[(2-methylpropan-2-yl)oxycarbonyl]spiro[2H-indole-3,1'-cyclopropane]-7-carboxylic acid
CID 121383681
tert-butyl 9-fluoro-5-oxo-3,4-dihydro-2H-1,4-benzodiazepine-1-carboxylate
CID 67000016
tert-butyl 5-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 84633187
tert-butyl 4-oxospiro[2H-quinoline-3,2'-oxirane]-1-carboxylate
CID 138963331
tert-butyl spiro[1,2-dihydropyrido[2,3-b][1,4]oxazine-3,3'-azetidine]-1'-carboxylate
CID 162341910
tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
CID 166638581
tert-butyl spiro[1,2-dihydroindole-3,3'-piperidine]-1'-carboxylate;ethane
CID 91303115
tert-butyl 4-(2-tert-butyl-4-isocyanophenyl)piperazine-1-carboxylate
CID 87152988

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate (CID 84645694) is tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate is CC1(C)CN(C(=O)OC(C)(C)C)c2c(cccc2C(C)(C)C)N1.
What is the InChIKey of tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is XJLSHJRWJKCQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-17(2,3)13-10-9-11-14-15(13)21(12-19(7,8)20-14)16(22)23-18(4,5)6/h9-11,20H,12H2,1-8H3.
What are the key properties of tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate?
tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 4.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 8-tert-butyl-3,3-dimethyl-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 84645694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).