2-bromo-3-quinolin-2-ylpropan-1-ol

C12H12BrNO — CID 119086865

IUPAC2-bromo-3-quinolin-2-ylpropan-1-ol
SMILESOCC(Br)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H12BrNO/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11/h1-6,10,15H,7-8H2
InChIKeyXZJANMWLYIEDEF-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.53
Rot. Bonds3

About 2-bromo-3-quinolin-2-ylpropan-1-ol

2-bromo-3-quinolin-2-ylpropan-1-ol (PubChem CID 119086865) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-bromo-3-quinolin-2-ylpropan-1-ol.

Molecular Properties

Compound Name2-bromo-3-quinolin-2-ylpropan-1-ol
PubChem CID119086865
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-bromo-3-quinolin-2-ylpropan-1-ol
SMILESOCC(Br)Cc1ccc2ccccc2n1
InChIInChI=1S/C12H12BrNO/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11/h1-6,10,15H,7-8H2
InChIKeyXZJANMWLYIEDEF-UHFFFAOYSA-N
XLogP2.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-3-quinolin-2-ylpropan-1-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

2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
1-cyclopropyl-2-quinolin-2-ylethanol
CID 63353009
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
2-[2-bromo-2-(4-methylphenyl)ethyl]quinoline
CID 66459842
2-[2-bromo-2-(3,5-dimethylphenyl)ethyl]quinoline
CID 66461439
2-[2-bromo-2-(3-bromophenyl)ethyl]quinoline
CID 66461440
(2R)-2-(quinolin-2-ylmethylamino)propan-1-ol
CID 93083144
CID 89210421
CID 89210421
3-quinolin-2-ylpropan-1-ol;dihydrochloride
CID 175501927
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
2-(iodomethyl)quinoline
CID 19432604
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-quinolin-2-ylpropan-1-ol?
The IUPAC name of 2-bromo-3-quinolin-2-ylpropan-1-ol (CID 119086865) is 2-bromo-3-quinolin-2-ylpropan-1-ol.
What is the SMILES notation for 2-bromo-3-quinolin-2-ylpropan-1-ol?
The canonical SMILES for 2-bromo-3-quinolin-2-ylpropan-1-ol is OCC(Br)Cc1ccc2ccccc2n1.
What is the InChIKey of 2-bromo-3-quinolin-2-ylpropan-1-ol?
The InChIKey is XZJANMWLYIEDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-10(8-15)7-11-6-5-9-3-1-2-4-12(9)14-11/h1-6,10,15H,7-8H2.
What are the key properties of 2-bromo-3-quinolin-2-ylpropan-1-ol?
2-bromo-3-quinolin-2-ylpropan-1-ol has a molecular weight of 266.14 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-quinolin-2-ylpropan-1-ol is sourced from PubChem (CID 119086865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).