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

C26H30N4O4 — CID 665092

IUPAC3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one
SMILESCCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O
InChIInChI=1S/C26H30N4O4/c1-3-19-25(31)29(23-11-7-5-9-21(23)27-19)13-15-33-17-18-34-16-14-30-24-12-8-6-10-22(24)28-20(4-2)26(30)32/h5-12H,3-4,13-18H2,1-2H3
InChIKeyYWBZJDHCXLSNFR-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.96
Rot. Bonds11

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

3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one (PubChem CID 665092) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one
PubChem CID665092
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one
SMILESCCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O
InChIInChI=1S/C26H30N4O4/c1-3-19-25(31)29(23-11-7-5-9-21(23)27-19)13-15-33-17-18-34-16-14-30-24-12-8-6-10-22(24)28-20(4-2)26(30)32/h5-12H,3-4,13-18H2,1-2H3
InChIKeyYWBZJDHCXLSNFR-UHFFFAOYSA-N
XLogP2.96
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one?
The IUPAC name of 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one (CID 665092) is 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one.
What is the SMILES notation for 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one?
The canonical SMILES for 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one is CCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O.
What is the InChIKey of 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one?
The InChIKey is YWBZJDHCXLSNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-19-25(31)29(23-11-7-5-9-21(23)27-19)13-15-33-17-18-34-16-14-30-24-12-8-6-10-22(24)28-20(4-2)26(30)32/h5-12H,3-4,13-18H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one?
3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one has a molecular weight of 462.55 g/mol, XLogP of 2.96, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-[2-[2-(3-ethyl-2-oxoquinoxalin-1-yl)ethoxy]ethoxy]ethyl]quinoxalin-2-one is sourced from PubChem (CID 665092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).