2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline

C24H42N2 — CID 176936515

IUPAC2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline
SMILESCCCCc1cccc2c1N(CCCC)CC(CCCC)(CCCC)N2
InChIInChI=1S/C24H42N2/c1-5-9-14-21-15-13-16-22-23(21)26(19-12-8-4)20-24(25-22,17-10-6-2)18-11-7-3/h13,15-16,25H,5-12,14,17-20H2,1-4H3
InChIKeyFFUULIVVTPOEGX-UHFFFAOYSA-N
MW358.61 g/mol
LogP7.18
Rot. Bonds12

About 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline

2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline (PubChem CID 176936515) has the molecular formula C24H42N2 and a molecular weight of 358.61 g/mol. Its IUPAC name is 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline.

Molecular Properties

Compound Name2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline
PubChem CID176936515
Molecular FormulaC24H42N2
Molecular Weight358.61 g/mol
Exact Mass358.33
IUPAC Name2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline
SMILESCCCCc1cccc2c1N(CCCC)CC(CCCC)(CCCC)N2
InChIInChI=1S/C24H42N2/c1-5-9-14-21-15-13-16-22-23(21)26(19-12-8-4)20-24(25-22,17-10-6-2)18-11-7-3/h13,15-16,25H,5-12,14,17-20H2,1-4H3
InChIKeyFFUULIVVTPOEGX-UHFFFAOYSA-N
XLogP7.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline?
The IUPAC name of 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline (CID 176936515) is 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline.
What is the SMILES notation for 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline?
The canonical SMILES for 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline is CCCCc1cccc2c1N(CCCC)CC(CCCC)(CCCC)N2.
What is the InChIKey of 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline?
The InChIKey is FFUULIVVTPOEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2/c1-5-9-14-21-15-13-16-22-23(21)26(19-12-8-4)20-24(25-22,17-10-6-2)18-11-7-3/h13,15-16,25H,5-12,14,17-20H2,1-4H3.
What are the key properties of 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline?
2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline has a molecular weight of 358.61 g/mol, XLogP of 7.18, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5-tetrabutyl-1,3-dihydroquinoxaline is sourced from PubChem (CID 176936515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).