4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline

C17H28N2 — CID 115318321

IUPAC4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCCCC(CC)CN1c2ccccc2NCC1C
InChIInChI=1S/C17H28N2/c1-4-6-9-15(5-2)13-19-14(3)12-18-16-10-7-8-11-17(16)19/h7-8,10-11,14-15,18H,4-6,9,12-13H2,1-3H3
InChIKeyBXGUTGYZSMFTQS-UHFFFAOYSA-N
MW260.43 g/mol
LogP4.52
Rot. Bonds6

About 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline

4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline (PubChem CID 115318321) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline
PubChem CID115318321
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline
SMILESCCCCC(CC)CN1c2ccccc2NCC1C
InChIInChI=1S/C17H28N2/c1-4-6-9-15(5-2)13-19-14(3)12-18-16-10-7-8-11-17(16)19/h7-8,10-11,14-15,18H,4-6,9,12-13H2,1-3H3
InChIKeyBXGUTGYZSMFTQS-UHFFFAOYSA-N
XLogP4.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
The IUPAC name of 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline (CID 115318321) is 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline.
What is the SMILES notation for 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
The canonical SMILES for 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline is CCCCC(CC)CN1c2ccccc2NCC1C.
What is the InChIKey of 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
The InChIKey is BXGUTGYZSMFTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-9-15(5-2)13-19-14(3)12-18-16-10-7-8-11-17(16)19/h7-8,10-11,14-15,18H,4-6,9,12-13H2,1-3H3.
What are the key properties of 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline?
4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline has a molecular weight of 260.43 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexyl)-3-methyl-2,3-dihydro-1H-quinoxaline is sourced from PubChem (CID 115318321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).