1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one

C24H22N4O2 — CID 159498561

IUPAC1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one
SMILESCOCCCC(=O)Cc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1
InChIInChI=1S/C24H22N4O2/c1-30-14-6-7-18(29)15-17-10-11-19-22(16-17)28-24(21-9-3-5-13-26-21)23(27-19)20-8-2-4-12-25-20/h2-5,8-13,16H,6-7,14-15H2,1H3
InChIKeyCMZQINMPSZDWIV-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.29
Rot. Bonds8

About 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one

1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one (PubChem CID 159498561) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one.

Molecular Properties

Compound Name1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one
PubChem CID159498561
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one
SMILESCOCCCC(=O)Cc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1
InChIInChI=1S/C24H22N4O2/c1-30-14-6-7-18(29)15-17-10-11-19-22(16-17)28-24(21-9-3-5-13-26-21)23(27-19)20-8-2-4-12-25-20/h2-5,8-13,16H,6-7,14-15H2,1H3
InChIKeyCMZQINMPSZDWIV-UHFFFAOYSA-N
XLogP4.29
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one?
The IUPAC name of 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one (CID 159498561) is 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one.
What is the SMILES notation for 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one?
The canonical SMILES for 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one is COCCCC(=O)Cc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1.
What is the InChIKey of 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one?
The InChIKey is CMZQINMPSZDWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-30-14-6-7-18(29)15-17-10-11-19-22(16-17)28-24(21-9-3-5-13-26-21)23(27-19)20-8-2-4-12-25-20/h2-5,8-13,16H,6-7,14-15H2,1H3.
What are the key properties of 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one?
1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one has a molecular weight of 398.47 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dipyridin-2-ylquinoxalin-6-yl)-5-methoxypentan-2-one is sourced from PubChem (CID 159498561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).