(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol

C16H11BrFNO — CID 81216485

IUPAC(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
SMILESOC(c1ccc(F)c(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H11BrFNO/c17-13-9-12(3-5-14(13)18)16(20)11-4-6-15-10(8-11)2-1-7-19-15/h1-9,16,20H
InChIKeyDGYQMSKTQCGUGJ-UHFFFAOYSA-N
MW332.17 g/mol
LogP4.22
Rot. Bonds2

About (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol

(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol (PubChem CID 81216485) has the molecular formula C16H11BrFNO and a molecular weight of 332.17 g/mol. Its IUPAC name is (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol.

Molecular Properties

Compound Name(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
PubChem CID81216485
Molecular FormulaC16H11BrFNO
Molecular Weight332.17 g/mol
Exact Mass331.00
IUPAC Name(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol
SMILESOC(c1ccc(F)c(Br)c1)c1ccc2ncccc2c1
InChIInChI=1S/C16H11BrFNO/c17-13-9-12(3-5-14(13)18)16(20)11-4-6-15-10(8-11)2-1-7-19-15/h1-9,16,20H
InChIKeyDGYQMSKTQCGUGJ-UHFFFAOYSA-N
XLogP4.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol 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

(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
pyridin-4-yl(quinolin-6-yl)methanol
CID 81215658
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
(4-methylsulfanylphenyl)-quinolin-6-ylmethanol
CID 115826701
(3-aminophenyl)-quinolin-6-ylmethanol
CID 106695803
(5-fluoro-2-pyridinyl)-quinolin-6-ylmethanol
CID 81221058
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(2,3-difluoro-4-methylphenyl)-quinolin-6-ylmethanol
CID 107512228
(6-bromo-8-fluoroimidazo[1,2-a]pyridin-3-yl)-quinolin-6-ylmethanol
CID 123899944
(5-fluoro-2-methylphenyl)-quinolin-6-ylmethanol
CID 63095091
(2-amino-5-bromophenyl)-quinolin-6-ylmethanol
CID 82704078
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol?
The IUPAC name of (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol (CID 81216485) is (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol.
What is the SMILES notation for (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol?
The canonical SMILES for (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol is OC(c1ccc(F)c(Br)c1)c1ccc2ncccc2c1.
What is the InChIKey of (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol?
The InChIKey is DGYQMSKTQCGUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNO/c17-13-9-12(3-5-14(13)18)16(20)11-4-6-15-10(8-11)2-1-7-19-15/h1-9,16,20H.
What are the key properties of (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol?
(3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol has a molecular weight of 332.17 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-fluorophenyl)-quinolin-6-ylmethanol is sourced from PubChem (CID 81216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).