1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one

C15H22N2O — CID 82157281

IUPAC1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCN1C(=O)C(C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C15H22N2O/c1-5-6-7-17-14-9-11(3)10(2)8-13(14)16-12(4)15(17)18/h8-9,12,16H,5-7H2,1-4H3
InChIKeyJAGVTCVISGDWAM-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.25
Rot. Bonds3

About 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one

1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157281) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157281
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCN1C(=O)C(C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C15H22N2O/c1-5-6-7-17-14-9-11(3)10(2)8-13(14)16-12(4)15(17)18/h8-9,12,16H,5-7H2,1-4H3
InChIKeyJAGVTCVISGDWAM-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one (CID 82157281) is 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one is CCCCN1C(=O)C(C)Nc2cc(C)c(C)cc21.
What is the InChIKey of 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is JAGVTCVISGDWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-6-7-17-14-9-11(3)10(2)8-13(14)16-12(4)15(17)18/h8-9,12,16H,5-7H2,1-4H3.
What are the key properties of 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).