2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol

C17H9F2NO2 — CID 135436566

IUPAC2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol
SMILESC#Cc1cc(-c2cc(F)c(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H9F2NO2/c1-2-9-7-16(10-5-13(18)17(22)14(19)6-10)20-15-4-3-11(21)8-12(9)15/h1,3-8,21-22H
InChIKeyKXSHCBMAMNWICM-UHFFFAOYSA-N
MW297.26 g/mol
LogP3.57
Rot. Bonds1

About 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol

2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol (PubChem CID 135436566) has the molecular formula C17H9F2NO2 and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol.

Molecular Properties

Compound Name2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol
PubChem CID135436566
Molecular FormulaC17H9F2NO2
Molecular Weight297.26 g/mol
Exact Mass297.06
IUPAC Name2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol
SMILESC#Cc1cc(-c2cc(F)c(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H9F2NO2/c1-2-9-7-16(10-5-13(18)17(22)14(19)6-10)20-15-4-3-11(21)8-12(9)15/h1,3-8,21-22H
InChIKeyKXSHCBMAMNWICM-UHFFFAOYSA-N
XLogP3.57
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol?
The IUPAC name of 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol (CID 135436566) is 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol.
What is the SMILES notation for 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol?
The canonical SMILES for 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol is C#Cc1cc(-c2cc(F)c(O)c(F)c2)nc2ccc(O)cc12.
What is the InChIKey of 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol?
The InChIKey is KXSHCBMAMNWICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F2NO2/c1-2-9-7-16(10-5-13(18)17(22)14(19)6-10)20-15-4-3-11(21)8-12(9)15/h1,3-8,21-22H.
What are the key properties of 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol?
2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol has a molecular weight of 297.26 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoro-4-hydroxyphenyl)-4-ethynylquinolin-6-ol is sourced from PubChem (CID 135436566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).