1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline

C14H18N2 — CID 143218638

IUPAC1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline
SMILESCC(C)=CCC1=Nc2ccccc2N(C)C1
InChIInChI=1S/C14H18N2/c1-11(2)8-9-12-10-16(3)14-7-5-4-6-13(14)15-12/h4-8H,9-10H2,1-3H3
InChIKeyVBULQRUUSLIESK-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.57
Rot. Bonds2

About 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline

1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline (PubChem CID 143218638) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline.

Molecular Properties

Compound Name1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline
PubChem CID143218638
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline
SMILESCC(C)=CCC1=Nc2ccccc2N(C)C1
InChIInChI=1S/C14H18N2/c1-11(2)8-9-12-10-16(3)14-7-5-4-6-13(14)15-12/h4-8H,9-10H2,1-3H3
InChIKeyVBULQRUUSLIESK-UHFFFAOYSA-N
XLogP3.57
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline?
The IUPAC name of 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline (CID 143218638) is 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline.
What is the SMILES notation for 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline?
The canonical SMILES for 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline is CC(C)=CCC1=Nc2ccccc2N(C)C1.
What is the InChIKey of 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline?
The InChIKey is VBULQRUUSLIESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)8-9-12-10-16(3)14-7-5-4-6-13(14)15-12/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline?
1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline has a molecular weight of 214.31 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbut-2-enyl)-2H-quinoxaline is sourced from PubChem (CID 143218638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).