2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone

C23H18N4O2 — CID 5223115

IUPAC2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone
SMILESCc1ccc2nc(CC(=O)c3cccnc3)c(CC(=O)c3cccnc3)nc2c1
InChIInChI=1S/C23H18N4O2/c1-15-6-7-18-19(10-15)27-21(12-23(29)17-5-3-9-25-14-17)20(26-18)11-22(28)16-4-2-8-24-13-16/h2-10,13-14H,11-12H2,1H3
InChIKeyFQLYSGIABAIACI-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.58
Rot. Bonds6

About 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone

2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone (PubChem CID 5223115) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone
PubChem CID5223115
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone
SMILESCc1ccc2nc(CC(=O)c3cccnc3)c(CC(=O)c3cccnc3)nc2c1
InChIInChI=1S/C23H18N4O2/c1-15-6-7-18-19(10-15)27-21(12-23(29)17-5-3-9-25-14-17)20(26-18)11-22(28)16-4-2-8-24-13-16/h2-10,13-14H,11-12H2,1H3
InChIKeyFQLYSGIABAIACI-UHFFFAOYSA-N
XLogP3.58
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.58
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-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone?
The IUPAC name of 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone (CID 5223115) is 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone?
The canonical SMILES for 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone is Cc1ccc2nc(CC(=O)c3cccnc3)c(CC(=O)c3cccnc3)nc2c1.
What is the InChIKey of 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone?
The InChIKey is FQLYSGIABAIACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-15-6-7-18-19(10-15)27-21(12-23(29)17-5-3-9-25-14-17)20(26-18)11-22(28)16-4-2-8-24-13-16/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone?
2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone has a molecular weight of 382.42 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(2-oxo-2-pyridin-3-ylethyl)quinoxalin-2-yl]-1-pyridin-3-ylethanone is sourced from PubChem (CID 5223115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).