1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one

C12H16N2O2 — CID 105475882

IUPAC1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one
SMILESCC(C)(C)N1C(=O)CNc2cc(O)ccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,3)14-10-5-4-8(15)6-9(10)13-7-11(14)16/h4-6,13,15H,7H2,1-3H3
InChIKeyGGQKVIDZMIYZPX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.95
Rot. Bonds

About 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one

1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one (PubChem CID 105475882) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one
PubChem CID105475882
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one
SMILESCC(C)(C)N1C(=O)CNc2cc(O)ccc21
InChIInChI=1S/C12H16N2O2/c1-12(2,3)14-10-5-4-8(15)6-9(10)13-7-11(14)16/h4-6,13,15H,7H2,1-3H3
InChIKeyGGQKVIDZMIYZPX-UHFFFAOYSA-N
XLogP1.95
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one (CID 105475882) is 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one is CC(C)(C)N1C(=O)CNc2cc(O)ccc21.
What is the InChIKey of 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one?
The InChIKey is GGQKVIDZMIYZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,3)14-10-5-4-8(15)6-9(10)13-7-11(14)16/h4-6,13,15H,7H2,1-3H3.
What are the key properties of 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one?
1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-hydroxy-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 105475882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).