1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline

C12H17BrN2 — CID 63777504

IUPAC1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CCCBr)c2ccccc21
InChIInChI=1S/C12H17BrN2/c1-14-9-10-15(8-4-7-13)12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3
InChIKeyOMVTVWFKCYFVDP-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.73
Rot. Bonds3

About 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline

1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline (PubChem CID 63777504) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
PubChem CID63777504
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(CCCBr)c2ccccc21
InChIInChI=1S/C12H17BrN2/c1-14-9-10-15(8-4-7-13)12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3
InChIKeyOMVTVWFKCYFVDP-UHFFFAOYSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 52.73
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 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline (CID 63777504) is 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline is CN1CCN(CCCBr)c2ccccc21.
What is the InChIKey of 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is OMVTVWFKCYFVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-14-9-10-15(8-4-7-13)12-6-3-2-5-11(12)14/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline?
1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 269.19 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 63777504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).