2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone

C24H20N4O2 — CID 4560965

IUPAC2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone
SMILESCc1cc2nc(CC(=O)c3ccncc3)c(CC(=O)c3ccncc3)nc2cc1C
InChIInChI=1S/C24H20N4O2/c1-15-11-19-20(12-16(15)2)28-22(14-24(30)18-5-9-26-10-6-18)21(27-19)13-23(29)17-3-7-25-8-4-17/h3-12H,13-14H2,1-2H3
InChIKeyBTNFAPBTPOZTJR-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.89
Rot. Bonds6

About 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone

2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone (PubChem CID 4560965) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone
PubChem CID4560965
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone
SMILESCc1cc2nc(CC(=O)c3ccncc3)c(CC(=O)c3ccncc3)nc2cc1C
InChIInChI=1S/C24H20N4O2/c1-15-11-19-20(12-16(15)2)28-22(14-24(30)18-5-9-26-10-6-18)21(27-19)13-23(29)17-3-7-25-8-4-17/h3-12H,13-14H2,1-2H3
InChIKeyBTNFAPBTPOZTJR-UHFFFAOYSA-N
XLogP3.89
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_66_D(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone?
The IUPAC name of 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone (CID 4560965) is 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone?
The canonical SMILES for 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone is Cc1cc2nc(CC(=O)c3ccncc3)c(CC(=O)c3ccncc3)nc2cc1C.
What is the InChIKey of 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone?
The InChIKey is BTNFAPBTPOZTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15-11-19-20(12-16(15)2)28-22(14-24(30)18-5-9-26-10-6-18)21(27-19)13-23(29)17-3-7-25-8-4-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone?
2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone has a molecular weight of 396.45 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethyl-3-(2-oxo-2-pyridin-4-ylethyl)quinoxalin-2-yl]-1-pyridin-4-ylethanone is sourced from PubChem (CID 4560965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).