2-(3-bromopentan-2-yl)-3-methylquinoxaline

C14H17BrN2 — CID 63560070

IUPAC2-(3-bromopentan-2-yl)-3-methylquinoxaline
SMILESCCC(Br)C(C)c1nc2ccccc2nc1C
InChIInChI=1S/C14H17BrN2/c1-4-11(15)9(2)14-10(3)16-12-7-5-6-8-13(12)17-14/h5-9,11H,4H2,1-3H3
InChIKeyTYTCIBIJGPIPAO-UHFFFAOYSA-N
MW293.21 g/mol
LogP4.22
Rot. Bonds3

About 2-(3-bromopentan-2-yl)-3-methylquinoxaline

2-(3-bromopentan-2-yl)-3-methylquinoxaline (PubChem CID 63560070) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-(3-bromopentan-2-yl)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(3-bromopentan-2-yl)-3-methylquinoxaline
PubChem CID63560070
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC Name2-(3-bromopentan-2-yl)-3-methylquinoxaline
SMILESCCC(Br)C(C)c1nc2ccccc2nc1C
InChIInChI=1S/C14H17BrN2/c1-4-11(15)9(2)14-10(3)16-12-7-5-6-8-13(12)17-14/h5-9,11H,4H2,1-3H3
InChIKeyTYTCIBIJGPIPAO-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopentan-2-yl)-3-methylquinoxaline?
The IUPAC name of 2-(3-bromopentan-2-yl)-3-methylquinoxaline (CID 63560070) is 2-(3-bromopentan-2-yl)-3-methylquinoxaline.
What is the SMILES notation for 2-(3-bromopentan-2-yl)-3-methylquinoxaline?
The canonical SMILES for 2-(3-bromopentan-2-yl)-3-methylquinoxaline is CCC(Br)C(C)c1nc2ccccc2nc1C.
What is the InChIKey of 2-(3-bromopentan-2-yl)-3-methylquinoxaline?
The InChIKey is TYTCIBIJGPIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-4-11(15)9(2)14-10(3)16-12-7-5-6-8-13(12)17-14/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-(3-bromopentan-2-yl)-3-methylquinoxaline?
2-(3-bromopentan-2-yl)-3-methylquinoxaline has a molecular weight of 293.21 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopentan-2-yl)-3-methylquinoxaline is sourced from PubChem (CID 63560070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).