2-(2-bromoanilino)-2-quinolin-6-ylethanol

C17H15BrN2O — CID 63970821

IUPAC2-(2-bromoanilino)-2-quinolin-6-ylethanol
SMILESOCC(Nc1ccccc1Br)c1ccc2ncccc2c1
InChIInChI=1S/C17H15BrN2O/c18-14-5-1-2-6-16(14)20-17(11-21)13-7-8-15-12(10-13)4-3-9-19-15/h1-10,17,20-21H,11H2
InChIKeyOZQATGYGQRYPOG-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.14
Rot. Bonds4

About 2-(2-bromoanilino)-2-quinolin-6-ylethanol

2-(2-bromoanilino)-2-quinolin-6-ylethanol (PubChem CID 63970821) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-quinolin-6-ylethanol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-quinolin-6-ylethanol
PubChem CID63970821
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-(2-bromoanilino)-2-quinolin-6-ylethanol
SMILESOCC(Nc1ccccc1Br)c1ccc2ncccc2c1
InChIInChI=1S/C17H15BrN2O/c18-14-5-1-2-6-16(14)20-17(11-21)13-7-8-15-12(10-13)4-3-9-19-15/h1-10,17,20-21H,11H2
InChIKeyOZQATGYGQRYPOG-UHFFFAOYSA-N
XLogP4.14
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromoanilino)-2-quinolin-6-ylethanol 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-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
(2S)-2-(2-bromoanilino)-2-phenylethanol
CID 135041919
2-(2-methylpropylamino)-2-quinolin-6-ylethanol
CID 63968528
3-[(2-amino-1-quinolin-6-ylethyl)amino]propan-1-ol
CID 65378237
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2-(2-bromoanilino)-2-(4-propoxyphenyl)ethanol
CID 62497133
2-(2-bromoanilino)-2-(3-cyclopropylphenyl)ethanol
CID 79980667
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
N-(2-bromophenyl)-2-quinolin-6-yloxyacetamide
CID 112978725
N-propyl-1-quinolin-6-ylethane-1,2-diamine
CID 63967677
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
CID 81216485
2-phenoxy-1-quinolin-6-ylethanol
CID 81220739

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-quinolin-6-ylethanol?
The IUPAC name of 2-(2-bromoanilino)-2-quinolin-6-ylethanol (CID 63970821) is 2-(2-bromoanilino)-2-quinolin-6-ylethanol.
What is the SMILES notation for 2-(2-bromoanilino)-2-quinolin-6-ylethanol?
The canonical SMILES for 2-(2-bromoanilino)-2-quinolin-6-ylethanol is OCC(Nc1ccccc1Br)c1ccc2ncccc2c1.
What is the InChIKey of 2-(2-bromoanilino)-2-quinolin-6-ylethanol?
The InChIKey is OZQATGYGQRYPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O/c18-14-5-1-2-6-16(14)20-17(11-21)13-7-8-15-12(10-13)4-3-9-19-15/h1-10,17,20-21H,11H2.
What are the key properties of 2-(2-bromoanilino)-2-quinolin-6-ylethanol?
2-(2-bromoanilino)-2-quinolin-6-ylethanol has a molecular weight of 343.22 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-quinolin-6-ylethanol is sourced from PubChem (CID 63970821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).