5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione

C10H10N2O2 — CID 655777

IUPAC5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyNLXZQFMPNGKKQX-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.83
Rot. Bonds

About 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione

5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 655777) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione
PubChem CID655777
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione
SMILESCc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14)
InChIKeyNLXZQFMPNGKKQX-UHFFFAOYSA-N
XLogP0.83
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione (CID 655777) is 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione is Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is NLXZQFMPNGKKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-5-3-6(2)8-7(4-5)11-9(13)10(14)12-8/h3-4H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione?
5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 190.20 g/mol, XLogP of 0.83, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 655777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).