5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione

C15H22N2O2 — CID 102588948

IUPAC5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione
SMILESCC1=C2C(=CC(=O)C1=O)N(C(C)C)CCN2C(C)C
InChIInChI=1S/C15H22N2O2/c1-9(2)16-6-7-17(10(3)4)14-11(5)15(19)13(18)8-12(14)16/h8-10H,6-7H2,1-5H3
InChIKeyBSQGPTNODGDVIN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.73
Rot. Bonds2

About 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione

5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione (PubChem CID 102588948) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione.

Molecular Properties

Compound Name5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione
PubChem CID102588948
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione
SMILESCC1=C2C(=CC(=O)C1=O)N(C(C)C)CCN2C(C)C
InChIInChI=1S/C15H22N2O2/c1-9(2)16-6-7-17(10(3)4)14-11(5)15(19)13(18)8-12(14)16/h8-10H,6-7H2,1-5H3
InChIKeyBSQGPTNODGDVIN-UHFFFAOYSA-N
XLogP1.73
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione 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 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione?
The IUPAC name of 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione (CID 102588948) is 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione.
What is the SMILES notation for 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione?
The canonical SMILES for 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione is CC1=C2C(=CC(=O)C1=O)N(C(C)C)CCN2C(C)C.
What is the InChIKey of 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione?
The InChIKey is BSQGPTNODGDVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9(2)16-6-7-17(10(3)4)14-11(5)15(19)13(18)8-12(14)16/h8-10H,6-7H2,1-5H3.
What are the key properties of 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione?
5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione has a molecular weight of 262.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,4-di(propan-2-yl)-2,3-dihydroquinoxaline-6,7-dione is sourced from PubChem (CID 102588948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).