6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione

C12H10N4O2 — CID 11776498

IUPAC6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1-n1ccnc1
InChIInChI=1S/C12H10N4O2/c1-7-4-8-9(15-12(18)11(17)14-8)5-10(7)16-3-2-13-6-16/h2-6H,1H3,(H,14,17)(H,15,18)
InChIKeySEEWRTDSBZVQOJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.71
Rot. Bonds1

About 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione

6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 11776498) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID11776498
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc2[nH]c(=O)c(=O)[nH]c2cc1-n1ccnc1
InChIInChI=1S/C12H10N4O2/c1-7-4-8-9(15-12(18)11(17)14-8)5-10(7)16-3-2-13-6-16/h2-6H,1H3,(H,14,17)(H,15,18)
InChIKeySEEWRTDSBZVQOJ-UHFFFAOYSA-N
XLogP0.71
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione (CID 11776498) is 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione is Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1-n1ccnc1.
What is the InChIKey of 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is SEEWRTDSBZVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-7-4-8-9(15-12(18)11(17)14-8)5-10(7)16-3-2-13-6-16/h2-6H,1H3,(H,14,17)(H,15,18).
What are the key properties of 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione?
6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 242.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-7-methyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 11776498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).