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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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).