1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one

C15H18N2O2 — CID 162419799

IUPAC1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one
SMILESCC(=O)CCC(C)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C15H18N2O2/c1-10(8-9-11(2)18)14-15(19)17(3)13-7-5-4-6-12(13)16-14/h4-7,10H,8-9H2,1-3H3
InChIKeyJMDBSVORTOUETN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.41
Rot. Bonds4

About 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one

1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one (PubChem CID 162419799) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one
PubChem CID162419799
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one
SMILESCC(=O)CCC(C)c1nc2ccccc2n(C)c1=O
InChIInChI=1S/C15H18N2O2/c1-10(8-9-11(2)18)14-15(19)17(3)13-7-5-4-6-12(13)16-14/h4-7,10H,8-9H2,1-3H3
InChIKeyJMDBSVORTOUETN-UHFFFAOYSA-N
XLogP2.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one?
The IUPAC name of 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one (CID 162419799) is 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one is CC(=O)CCC(C)c1nc2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one?
The InChIKey is JMDBSVORTOUETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(8-9-11(2)18)14-15(19)17(3)13-7-5-4-6-12(13)16-14/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one?
1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-oxohexan-2-yl)quinoxalin-2-one is sourced from PubChem (CID 162419799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).