3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane

C17H26N2O — CID 142879464

IUPAC3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane
SMILESCC.CC.CC/C=C\c1nc2c(O)cccc2nc1C
InChIInChI=1S/C13H14N2O.2C2H6/c1-3-4-6-10-9(2)14-11-7-5-8-12(16)13(11)15-10;2*1-2/h4-8,16H,3H2,1-2H3;2*1-2H3/b6-4-;;
InChIKeyKQCZJNOLWKJOPL-XFUGJFOESA-N
MW274.41 g/mol
LogP5.12
Rot. Bonds2

About 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane

3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane (PubChem CID 142879464) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane
PubChem CID142879464
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane
SMILESCC.CC.CC/C=C\c1nc2c(O)cccc2nc1C
InChIInChI=1S/C13H14N2O.2C2H6/c1-3-4-6-10-9(2)14-11-7-5-8-12(16)13(11)15-10;2*1-2/h4-8,16H,3H2,1-2H3;2*1-2H3/b6-4-;;
InChIKeyKQCZJNOLWKJOPL-XFUGJFOESA-N
XLogP5.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-but-1-enyl]-3-methylquinoxalin-5-ol
CID 143952989
2-[(E)-but-1-enyl]-3-methylquinoxaline;N,N-dimethylbutan-1-amine
CID 143956357
2,3-dipropylquinoxalin-5-ol
CID 139685359
3-[(E)-but-1-enyl]-2-methylphenol
CID 173140204
2-methylquinoxalin-5-ol
CID 135546994
8-methylphenazin-1-ol
CID 137287576
6,8-dimethylphenazin-1-ol
CID 137281639
5-(chloromethyl)-2,3-dimethylquinoxaline
CID 22036994
ethane;bis(2-methylquinolin-8-ol);propane;hydrate
CID 143591758
4-(3-methylpent-2-enyl)phenazine-1,6-diol
CID 136933100
3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
CID 136657429
7-(bromomethyl)phenazin-1-ol
CID 137281663

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane?
The IUPAC name of 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane (CID 142879464) is 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane.
What is the SMILES notation for 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane?
The canonical SMILES for 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane is CC.CC.CC/C=C\c1nc2c(O)cccc2nc1C.
What is the InChIKey of 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane?
The InChIKey is KQCZJNOLWKJOPL-XFUGJFOESA-N. The full InChI is InChI=1S/C13H14N2O.2C2H6/c1-3-4-6-10-9(2)14-11-7-5-8-12(16)13(11)15-10;2*1-2/h4-8,16H,3H2,1-2H3;2*1-2H3/b6-4-;;.
What are the key properties of 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane?
3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane has a molecular weight of 274.41 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]-2-methylquinoxalin-5-ol;ethane is sourced from PubChem (CID 142879464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).