6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

C15H14Cl2N4O2 — CID 10360695

IUPAC6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCn1cnc(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)c1
InChIInChI=1S/C15H14Cl2N4O2/c1-2-3-21-6-8(18-7-21)4-9-12(17)10(16)5-11-13(9)20-15(23)14(22)19-11/h5-7H,2-4H2,1H3,(H,19,22)(H,20,23)
InChIKeyCAOLWEYKTUSPPC-UHFFFAOYSA-N
MW353.21 g/mol
LogP2.72
Rot. Bonds4

About 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione

6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10360695) has the molecular formula C15H14Cl2N4O2 and a molecular weight of 353.21 g/mol. Its IUPAC name is 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10360695
Molecular FormulaC15H14Cl2N4O2
Molecular Weight353.21 g/mol
Exact Mass352.05
IUPAC Name6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione
SMILESCCCn1cnc(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)c1
InChIInChI=1S/C15H14Cl2N4O2/c1-2-3-21-6-8(18-7-21)4-9-12(17)10(16)5-11-13(9)20-15(23)14(22)19-11/h5-7H,2-4H2,1H3,(H,19,22)(H,20,23)
InChIKeyCAOLWEYKTUSPPC-UHFFFAOYSA-N
XLogP2.72
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 52.72
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 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione (CID 10360695) is 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione is CCCn1cnc(Cc2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)c1.
What is the InChIKey of 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is CAOLWEYKTUSPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2/c1-2-3-21-6-8(18-7-21)4-9-12(17)10(16)5-11-13(9)20-15(23)14(22)19-11/h5-7H,2-4H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione?
6,7-dichloro-5-[(1-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 353.21 g/mol, XLogP of 2.72, 4 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-propylimidazol-4-yl)methyl]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10360695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).