3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one

C24H26N4O3 — CID 663912

IUPAC3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one
SMILESCCc1nc2ccccc2n(CCOCCn2c(=O)c(CC)nc3ccccc32)c1=O
InChIInChI=1S/C24H26N4O3/c1-3-17-23(29)27(21-11-7-5-9-19(21)25-17)13-15-31-16-14-28-22-12-8-6-10-20(22)26-18(4-2)24(28)30/h5-12H,3-4,13-16H2,1-2H3
InChIKeyZOXXXVIOKRHQFP-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.95
Rot. Bonds8

About 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one

3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one (PubChem CID 663912) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one
PubChem CID663912
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one
SMILESCCc1nc2ccccc2n(CCOCCn2c(=O)c(CC)nc3ccccc32)c1=O
InChIInChI=1S/C24H26N4O3/c1-3-17-23(29)27(21-11-7-5-9-19(21)25-17)13-15-31-16-14-28-22-12-8-6-10-20(22)26-18(4-2)24(28)30/h5-12H,3-4,13-16H2,1-2H3
InChIKeyZOXXXVIOKRHQFP-UHFFFAOYSA-N
XLogP2.95
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one?
The IUPAC name of 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one (CID 663912) is 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one?
The canonical SMILES for 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one is CCc1nc2ccccc2n(CCOCCn2c(=O)c(CC)nc3ccccc32)c1=O.
What is the InChIKey of 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one?
The InChIKey is ZOXXXVIOKRHQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-17-23(29)27(21-11-7-5-9-19(21)25-17)13-15-31-16-14-28-22-12-8-6-10-20(22)26-18(4-2)24(28)30/h5-12H,3-4,13-16H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one?
3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one has a molecular weight of 418.50 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethyl]quinoxalin-2-one is sourced from PubChem (CID 663912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).