2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline

C24H30N2O — CID 71079546

IUPAC2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline
SMILESCC(C)OCCCCc1ccc2nc(-c3ccccc3)c(C(C)C)nc2c1
InChIInChI=1S/C24H30N2O/c1-17(2)23-24(20-11-6-5-7-12-20)25-21-14-13-19(16-22(21)26-23)10-8-9-15-27-18(3)4/h5-7,11-14,16-18H,8-10,15H2,1-4H3
InChIKeyVSQRFRQTCZCUPT-UHFFFAOYSA-N
MW362.52 g/mol
LogP6.17
Rot. Bonds8

About 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline

2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline (PubChem CID 71079546) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline
PubChem CID71079546
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline
SMILESCC(C)OCCCCc1ccc2nc(-c3ccccc3)c(C(C)C)nc2c1
InChIInChI=1S/C24H30N2O/c1-17(2)23-24(20-11-6-5-7-12-20)25-21-14-13-19(16-22(21)26-23)10-8-9-15-27-18(3)4/h5-7,11-14,16-18H,8-10,15H2,1-4H3
InChIKeyVSQRFRQTCZCUPT-UHFFFAOYSA-N
XLogP6.17
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline?
The IUPAC name of 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline (CID 71079546) is 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline?
The canonical SMILES for 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline is CC(C)OCCCCc1ccc2nc(-c3ccccc3)c(C(C)C)nc2c1.
What is the InChIKey of 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline?
The InChIKey is VSQRFRQTCZCUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O/c1-17(2)23-24(20-11-6-5-7-12-20)25-21-14-13-19(16-22(21)26-23)10-8-9-15-27-18(3)4/h5-7,11-14,16-18H,8-10,15H2,1-4H3.
What are the key properties of 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline?
2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline has a molecular weight of 362.52 g/mol, XLogP of 6.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-propan-2-yl-6-(4-propan-2-yloxybutyl)quinoxaline is sourced from PubChem (CID 71079546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).