1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol

C12H17BrN2O — CID 112561690

IUPAC1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CBr)c2ccccc21
InChIInChI=1S/C12H17BrN2O/c1-14-6-7-15(9-10(16)8-13)12-5-3-2-4-11(12)14/h2-5,10,16H,6-9H2,1H3
InChIKeyXAJVOYUTPOVLSK-UHFFFAOYSA-N
MW285.19 g/mol
LogP1.70
Rot. Bonds3

About 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol

1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol (PubChem CID 112561690) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
PubChem CID112561690
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)CBr)c2ccccc21
InChIInChI=1S/C12H17BrN2O/c1-14-6-7-15(9-10(16)8-13)12-5-3-2-4-11(12)14/h2-5,10,16H,6-9H2,1H3
InChIKeyXAJVOYUTPOVLSK-UHFFFAOYSA-N
XLogP1.70
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methyl-2,3-dihydroquinoxalin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115475357
1-(2-methoxyethoxy)-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol
CID 106992074
1-(3-bromopropyl)-4-methyl-2,3-dihydroquinoxaline
CID 63777504
1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-2-amine
CID 63777117
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-phenylethanone
CID 63776591
2-ethoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propanoic acid
CID 63779171
2-methoxy-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-1-amine
CID 106114846
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 28806962
2-bromo-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanone
CID 63778569
1-cyclopropyl-N-methyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)ethanamine
CID 63914146
4,4-dimethyl-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)pentan-3-one
CID 63778227
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
The IUPAC name of 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol (CID 112561690) is 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol.
What is the SMILES notation for 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
The canonical SMILES for 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol is CN1CCN(CC(O)CBr)c2ccccc21.
What is the InChIKey of 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
The InChIKey is XAJVOYUTPOVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14-6-7-15(9-10(16)8-13)12-5-3-2-4-11(12)14/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol?
1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol has a molecular weight of 285.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(4-methyl-2,3-dihydroquinoxalin-1-yl)propan-2-ol is sourced from PubChem (CID 112561690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).