3-ethyl-1-quinoxalin-5-ylheptan-1-ol

C17H24N2O — CID 105080613

IUPAC3-ethyl-1-quinoxalin-5-ylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1cccc2nccnc12
InChIInChI=1S/C17H24N2O/c1-3-5-7-13(4-2)12-16(20)14-8-6-9-15-17(14)19-11-10-18-15/h6,8-11,13,16,20H,3-5,7,12H2,1-2H3
InChIKeyLMLCYBMWOVAXHP-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.27
Rot. Bonds7

About 3-ethyl-1-quinoxalin-5-ylheptan-1-ol

3-ethyl-1-quinoxalin-5-ylheptan-1-ol (PubChem CID 105080613) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-ethyl-1-quinoxalin-5-ylheptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-quinoxalin-5-ylheptan-1-ol
PubChem CID105080613
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-ethyl-1-quinoxalin-5-ylheptan-1-ol
SMILESCCCCC(CC)CC(O)c1cccc2nccnc12
InChIInChI=1S/C17H24N2O/c1-3-5-7-13(4-2)12-16(20)14-8-6-9-15-17(14)19-11-10-18-15/h6,8-11,13,16,20H,3-5,7,12H2,1-2H3
InChIKeyLMLCYBMWOVAXHP-UHFFFAOYSA-N
XLogP4.27
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-(2-methylphenyl)heptan-1-ol
CID 63411121
1-(3-bromo-2-methylphenyl)-3-ethylheptan-1-ol
CID 114981334
3-ethyl-1-(2-methylsulfanylphenyl)heptan-1-ol
CID 114981298
4-methylsulfonyl-1-quinoxalin-5-ylbutan-1-ol
CID 105082611
5-butan-2-ylquinoxaline
CID 123654553
3-ethyl-1-(3-ethyl-2-pyridinyl)heptan-1-ol
CID 82729718
N-methyl-1-quinoxalin-5-ylheptan-1-amine
CID 105126260
1-quinoxalin-5-ylbut-3-en-1-ol
CID 105081692
N-ethyl-1-quinoxalin-5-ylheptan-1-amine
CID 105125906
N-propyl-1-quinoxalin-5-ylhexan-1-amine
CID 105129498
3-ethyl-1-(3-methoxy-4-pyridinyl)heptan-1-ol
CID 105066192
2-(4-fluoro-2-methylphenyl)-1-quinoxalin-5-ylethanol
CID 105131294

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-quinoxalin-5-ylheptan-1-ol?
The IUPAC name of 3-ethyl-1-quinoxalin-5-ylheptan-1-ol (CID 105080613) is 3-ethyl-1-quinoxalin-5-ylheptan-1-ol.
What is the SMILES notation for 3-ethyl-1-quinoxalin-5-ylheptan-1-ol?
The canonical SMILES for 3-ethyl-1-quinoxalin-5-ylheptan-1-ol is CCCCC(CC)CC(O)c1cccc2nccnc12.
What is the InChIKey of 3-ethyl-1-quinoxalin-5-ylheptan-1-ol?
The InChIKey is LMLCYBMWOVAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-5-7-13(4-2)12-16(20)14-8-6-9-15-17(14)19-11-10-18-15/h6,8-11,13,16,20H,3-5,7,12H2,1-2H3.
What are the key properties of 3-ethyl-1-quinoxalin-5-ylheptan-1-ol?
3-ethyl-1-quinoxalin-5-ylheptan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-quinoxalin-5-ylheptan-1-ol is sourced from PubChem (CID 105080613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).