2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline

C16H22N2 — CID 157183608

IUPAC2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
SMILESCc1nc2c(C)c(C)c(C)c(C(C)C)c2nc1C
InChIInChI=1S/C16H22N2/c1-8(2)14-10(4)9(3)11(5)15-16(14)18-13(7)12(6)17-15/h8H,1-7H3
InChIKeyVWMJJLPGLIGDPL-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.30
Rot. Bonds1

About 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline

2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline (PubChem CID 157183608) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline.

Molecular Properties

Compound Name2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
PubChem CID157183608
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
SMILESCc1nc2c(C)c(C)c(C)c(C(C)C)c2nc1C
InChIInChI=1S/C16H22N2/c1-8(2)14-10(4)9(3)11(5)15-16(14)18-13(7)12(6)17-15/h8H,1-7H3
InChIKeyVWMJJLPGLIGDPL-UHFFFAOYSA-N
XLogP4.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline?
The IUPAC name of 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline (CID 157183608) is 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline.
What is the SMILES notation for 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline?
The canonical SMILES for 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline is Cc1nc2c(C)c(C)c(C)c(C(C)C)c2nc1C.
What is the InChIKey of 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline?
The InChIKey is VWMJJLPGLIGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-8(2)14-10(4)9(3)11(5)15-16(14)18-13(7)12(6)17-15/h8H,1-7H3.
What are the key properties of 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline?
2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline has a molecular weight of 242.37 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline is sourced from PubChem (CID 157183608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).