2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline

C30H30N4 — CID 11408224

IUPAC2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline
SMILESCC(C)(Cc1ccc(CC(C)(C)c2cnc3ccccc3n2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C30H30N4/c1-29(2,27-19-31-23-9-5-7-11-25(23)33-27)17-21-13-15-22(16-14-21)18-30(3,4)28-20-32-24-10-6-8-12-26(24)34-28/h5-16,19-20H,17-18H2,1-4H3
InChIKeyNWRTVUOCROFCNZ-UHFFFAOYSA-N
MW446.60 g/mol
LogP6.61
Rot. Bonds6

About 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline

2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline (PubChem CID 11408224) has the molecular formula C30H30N4 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline.

Molecular Properties

Compound Name2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline
PubChem CID11408224
Molecular FormulaC30H30N4
Molecular Weight446.60 g/mol
Exact Mass446.25
IUPAC Name2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline
SMILESCC(C)(Cc1ccc(CC(C)(C)c2cnc3ccccc3n2)cc1)c1cnc2ccccc2n1
InChIInChI=1S/C30H30N4/c1-29(2,27-19-31-23-9-5-7-11-25(23)33-27)17-21-13-15-22(16-14-21)18-30(3,4)28-20-32-24-10-6-8-12-26(24)34-28/h5-16,19-20H,17-18H2,1-4H3
InChIKeyNWRTVUOCROFCNZ-UHFFFAOYSA-N
XLogP6.61
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline?
The IUPAC name of 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline (CID 11408224) is 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline.
What is the SMILES notation for 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline?
The canonical SMILES for 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline is CC(C)(Cc1ccc(CC(C)(C)c2cnc3ccccc3n2)cc1)c1cnc2ccccc2n1.
What is the InChIKey of 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline?
The InChIKey is NWRTVUOCROFCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4/c1-29(2,27-19-31-23-9-5-7-11-25(23)33-27)17-21-13-15-22(16-14-21)18-30(3,4)28-20-32-24-10-6-8-12-26(24)34-28/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline?
2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline has a molecular weight of 446.60 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-[4-(2-methyl-2-quinoxalin-2-ylpropyl)phenyl]propan-2-yl]quinoxaline is sourced from PubChem (CID 11408224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).