3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one

C12H10N4O — CID 2997586

IUPAC3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one
SMILESCn1ccnc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H10N4O/c1-16-7-6-13-11(16)10-12(17)15-9-5-3-2-4-8(9)14-10/h2-7H,1H3,(H,15,17)
InChIKeyMYRRYYMORBWNDM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.32
Rot. Bonds1

About 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one

3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one (PubChem CID 2997586) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one
PubChem CID2997586
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one
SMILESCn1ccnc1-c1nc2ccccc2[nH]c1=O
InChIInChI=1S/C12H10N4O/c1-16-7-6-13-11(16)10-12(17)15-9-5-3-2-4-8(9)14-10/h2-7H,1H3,(H,15,17)
InChIKeyMYRRYYMORBWNDM-UHFFFAOYSA-N
XLogP1.32
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one (CID 2997586) is 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one is Cn1ccnc1-c1nc2ccccc2[nH]c1=O.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one?
The InChIKey is MYRRYYMORBWNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-16-7-6-13-11(16)10-12(17)15-9-5-3-2-4-8(9)14-10/h2-7H,1H3,(H,15,17).
What are the key properties of 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one?
3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one has a molecular weight of 226.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 2997586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).