6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione

C14H12Cl2N4O2 — CID 10497268

IUPAC6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCC(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1ccnc1
InChIInChI=1S/C14H12Cl2N4O2/c1-2-9(20-4-3-17-6-20)10-11(16)7(15)5-8-12(10)19-14(22)13(21)18-8/h3-6,9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyKWNOAUJXBKZPCH-UHFFFAOYSA-N
MW339.18 g/mol
LogP2.72
Rot. Bonds3

About 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10497268) has the molecular formula C14H12Cl2N4O2 and a molecular weight of 339.18 g/mol. Its IUPAC name is 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10497268
Molecular FormulaC14H12Cl2N4O2
Molecular Weight339.18 g/mol
Exact Mass338.03
IUPAC Name6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCC(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1ccnc1
InChIInChI=1S/C14H12Cl2N4O2/c1-2-9(20-4-3-17-6-20)10-11(16)7(15)5-8-12(10)19-14(22)13(21)18-8/h3-6,9H,2H2,1H3,(H,18,21)(H,19,22)
InChIKeyKWNOAUJXBKZPCH-UHFFFAOYSA-N
XLogP2.72
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-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 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione (CID 10497268) is 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione is CCC(c1c(Cl)c(Cl)cc2[nH]c(=O)c(=O)[nH]c12)n1ccnc1.
What is the InChIKey of 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is KWNOAUJXBKZPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N4O2/c1-2-9(20-4-3-17-6-20)10-11(16)7(15)5-8-12(10)19-14(22)13(21)18-8/h3-6,9H,2H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 339.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-5-(1-imidazol-1-ylpropyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10497268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).