1-methyl-3,4-dihydroquinoxalin-2-one

C9H10N2O — CID 21297195

IUPAC1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2ccccc21
InChIInChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
InChIKeyJFWAVAHCZRTHLM-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.07
Rot. Bonds

About 1-methyl-3,4-dihydroquinoxalin-2-one

1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 21297195) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID21297195
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2ccccc21
InChIInChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3
InChIKeyJFWAVAHCZRTHLM-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-methyl-3,4-dihydroquinoxalin-2-one (CID 21297195) is 1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)CNc2ccccc21.
What is the InChIKey of 1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is JFWAVAHCZRTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-6-9(11)12/h2-5,10H,6H2,1H3.
What are the key properties of 1-methyl-3,4-dihydroquinoxalin-2-one?
1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 21297195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).