2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol

C18H26N2O8 — CID 10597000

IUPAC2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol
SMILESCOc1cc2nc(OCCOCCO)c(OCCOCCO)nc2cc1OC
InChIInChI=1S/C18H26N2O8/c1-23-15-11-13-14(12-16(15)24-2)20-18(28-10-8-26-6-4-22)17(19-13)27-9-7-25-5-3-21/h11-12,21-22H,3-10H2,1-2H3
InChIKeyKNXCRZYRXWYONI-UHFFFAOYSA-N
MW398.41 g/mol
LogP0.42
Rot. Bonds14

About 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol

2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol (PubChem CID 10597000) has the molecular formula C18H26N2O8 and a molecular weight of 398.41 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol
PubChem CID10597000
Molecular FormulaC18H26N2O8
Molecular Weight398.41 g/mol
Exact Mass398.17
IUPAC Name2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol
SMILESCOc1cc2nc(OCCOCCO)c(OCCOCCO)nc2cc1OC
InChIInChI=1S/C18H26N2O8/c1-23-15-11-13-14(12-16(15)24-2)20-18(28-10-8-26-6-4-22)17(19-13)27-9-7-25-5-3-21/h11-12,21-22H,3-10H2,1-2H3
InChIKeyKNXCRZYRXWYONI-UHFFFAOYSA-N
XLogP0.42
TPSA121.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]ethanol
CID 15049023
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4,5-dimethylphenoxy]ethoxy]ethoxy]ethanol
CID 59950660
2-[2-[5-(hydroxymethyl)-2-methoxyphenoxy]ethoxy]ethanol
CID 61071627
2,3-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thieno[3,4-b]pyrazine
CID 25136770
1-[2-[2-[4,5-bis(bromomethyl)-2-methoxyphenoxy]ethoxy]ethoxy]-4,5-bis(bromomethyl)-2-methoxybenzene
CID 101021543
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-[2-[4,5-diamino-2-[2-(2-hydroxyethoxy)ethoxy]phenoxy]ethoxy]ethanol
CID 163651325
2-[2-[4,5,8-tris[2-(2-hydroxyethoxy)ethoxy]anthracen-1-yl]oxyethoxy]ethanol
CID 89126006
2,3-bis[2-(2-methoxyethoxy)ethoxy]phenazine
CID 156904974
2-(bromomethyl)-3,6,7-trimethoxyquinoxaline
CID 23349316

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol?
The IUPAC name of 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol (CID 10597000) is 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol.
What is the SMILES notation for 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol?
The canonical SMILES for 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol is COc1cc2nc(OCCOCCO)c(OCCOCCO)nc2cc1OC.
What is the InChIKey of 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol?
The InChIKey is KNXCRZYRXWYONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O8/c1-23-15-11-13-14(12-16(15)24-2)20-18(28-10-8-26-6-4-22)17(19-13)27-9-7-25-5-3-21/h11-12,21-22H,3-10H2,1-2H3.
What are the key properties of 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol?
2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol has a molecular weight of 398.41 g/mol, XLogP of 0.42, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-(2-hydroxyethoxy)ethoxy]-6,7-dimethoxyquinoxalin-2-yl]oxyethoxy]ethanol is sourced from PubChem (CID 10597000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).