5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

C13H18N2O — CID 84623056

IUPAC5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2c(cccc2C(C)(C)C)NC1=O
InChIInChI=1S/C13H18N2O/c1-8-12(16)15-10-7-5-6-9(11(10)14-8)13(2,3)4/h5-8,14H,1-4H3,(H,15,16)
InChIKeyBEZZPFJMJKETDP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.74
Rot. Bonds

About 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one

5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 84623056) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID84623056
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
SMILESCC1Nc2c(cccc2C(C)(C)C)NC1=O
InChIInChI=1S/C13H18N2O/c1-8-12(16)15-10-7-5-6-9(11(10)14-8)13(2,3)4/h5-8,14H,1-4H3,(H,15,16)
InChIKeyBEZZPFJMJKETDP-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one (CID 84623056) is 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is CC1Nc2c(cccc2C(C)(C)C)NC1=O.
What is the InChIKey of 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is BEZZPFJMJKETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-12(16)15-10-7-5-6-9(11(10)14-8)13(2,3)4/h5-8,14H,1-4H3,(H,15,16).
What are the key properties of 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one?
5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 84623056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).