2,3-didodecoxyquinoxaline

C32H54N2O2 — CID 139934452

IUPAC2,3-didodecoxyquinoxaline
SMILESCCCCCCCCCCCCOc1nc2ccccc2nc1OCCCCCCCCCCCC
InChIInChI=1S/C32H54N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-35-31-32(34-30-26-22-21-25-29(30)33-31)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
InChIKeyHZWDTWYUROIOPS-UHFFFAOYSA-N
MW498.80 g/mol
LogP10.23
Rot. Bonds24

About 2,3-didodecoxyquinoxaline

2,3-didodecoxyquinoxaline (PubChem CID 139934452) has the molecular formula C32H54N2O2 and a molecular weight of 498.80 g/mol. Its IUPAC name is 2,3-didodecoxyquinoxaline.

Molecular Properties

Compound Name2,3-didodecoxyquinoxaline
PubChem CID139934452
Molecular FormulaC32H54N2O2
Molecular Weight498.80 g/mol
Exact Mass498.42
IUPAC Name2,3-didodecoxyquinoxaline
SMILESCCCCCCCCCCCCOc1nc2ccccc2nc1OCCCCCCCCCCCC
InChIInChI=1S/C32H54N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-35-31-32(34-30-26-22-21-25-29(30)33-31)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3
InChIKeyHZWDTWYUROIOPS-UHFFFAOYSA-N
XLogP10.23
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.80
LogP ≤ 510.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
2-hexadecoxyquinoxaline
CID 175436911
4-hexoxy-N-methylquinazolin-2-amine
CID 80860948
3-pentoxy-1,4-benzodiazepin-2-one
CID 70541203
2-phenyl-3-tridecoxythieno[3,4-b]pyrazine
CID 21200077
2-(benzenesulfonyl)-2-(3-octoxyquinoxalin-2-yl)acetonitrile
CID 3591238
2-(4-chlorobutoxy)-3-methylquinoxaline
CID 139626429
3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
CID 134108728
9,10-dioctoxyanthracene
CID 21304201
pentoxybenzene;undecane
CID 174778179
3-hexoxyacridine
CID 141299786
2-pentoxy-1,3-benzoxazole
CID 175319075

Frequently Asked Questions

What is the IUPAC name of 2,3-didodecoxyquinoxaline?
The IUPAC name of 2,3-didodecoxyquinoxaline (CID 139934452) is 2,3-didodecoxyquinoxaline.
What is the SMILES notation for 2,3-didodecoxyquinoxaline?
The canonical SMILES for 2,3-didodecoxyquinoxaline is CCCCCCCCCCCCOc1nc2ccccc2nc1OCCCCCCCCCCCC.
What is the InChIKey of 2,3-didodecoxyquinoxaline?
The InChIKey is HZWDTWYUROIOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54N2O2/c1-3-5-7-9-11-13-15-17-19-23-27-35-31-32(34-30-26-22-21-25-29(30)33-31)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3.
What are the key properties of 2,3-didodecoxyquinoxaline?
2,3-didodecoxyquinoxaline has a molecular weight of 498.80 g/mol, XLogP of 10.23, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-didodecoxyquinoxaline is sourced from PubChem (CID 139934452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).