1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol

C20H15F2NO — CID 20663028

IUPAC1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol
SMILESC#CC(O)Cc1ccc2nc(-c3ccc(C)c(F)c3F)ccc2c1
InChIInChI=1S/C20H15F2NO/c1-3-15(24)11-13-5-8-17-14(10-13)6-9-18(23-17)16-7-4-12(2)19(21)20(16)22/h1,4-10,15,24H,11H2,2H3
InChIKeyVHYUPWTZEJLZPN-UHFFFAOYSA-N
MW323.34 g/mol
LogP4.03
Rot. Bonds3

About 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol

1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol (PubChem CID 20663028) has the molecular formula C20H15F2NO and a molecular weight of 323.34 g/mol. Its IUPAC name is 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol.

Molecular Properties

Compound Name1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol
PubChem CID20663028
Molecular FormulaC20H15F2NO
Molecular Weight323.34 g/mol
Exact Mass323.11
IUPAC Name1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol
SMILESC#CC(O)Cc1ccc2nc(-c3ccc(C)c(F)c3F)ccc2c1
InChIInChI=1S/C20H15F2NO/c1-3-15(24)11-13-5-8-17-14(10-13)6-9-18(23-17)16-7-4-12(2)19(21)20(16)22/h1,4-10,15,24H,11H2,2H3
InChIKeyVHYUPWTZEJLZPN-UHFFFAOYSA-N
XLogP4.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-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-[7-(2,3-difluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(2,3-difluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;1-[6-(2,3-difluoro-4-methylphenyl)quinazolin-2-yl]but-3-yn-2-ol;1-[7-(2-fluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[7-(3-fluoro-4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(2-fluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;1-[2-(3-fluoro-4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol;methane;1-[7-(4-methylphenyl)isoquinolin-3-yl]but-3-yn-2-ol;1-[2-(4-methylphenyl)quinazolin-6-yl]but-3-yn-2-ol
CID 157152036
1-[2,3-difluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(6-methylquinolin-2-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[2-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;methane;1-[4-(7-methylisoquinolin-3-yl)phenyl]but-3-yn-2-ol;1-[4-(2-methylquinazolin-6-yl)phenyl]but-3-yn-2-ol;1-[4-(6-methylquinazolin-2-yl)phenyl]but-3-yn-2-ol
CID 159844667
1-[4-(2-methylquinoxalin-6-yl)phenyl]but-3-yn-2-ol
CID 20663108
1-[6-(8-fluoro-6-methylnaphthalen-2-yl)-3-pyridinyl]but-3-yn-2-ol
CID 20663173
3-(2,3-difluoro-4-methylphenyl)-6-methylpyridazine
CID 20663232
(3-methyl-4-quinolin-2-ylphenyl)methanol
CID 170986628
1-[5-(2,3-difluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[2,3-difluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[5-(2-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[5-(3-fluoro-4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(3-fluoro-4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[2-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[3-fluoro-4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;methane;1-[5-(4-methylphenyl)-2-pyridinyl]but-3-yn-2-ol;1-[6-(4-methylphenyl)-3-pyridinyl]but-3-yn-2-ol;1-[4-(5-methyl-2-pyridinyl)phenyl]but-3-yn-2-ol;1-[4-(6-methyl-3-pyridinyl)phenyl]but-3-yn-2-ol
CID 157350746
6-(2,3-difluoro-4-methylphenyl)pyridazin-3-amine
CID 107514047
2-(2-fluorophenyl)-6-methylquinoline
CID 58774468
N-[[3-(2,3-difluoro-4-methylphenyl)-4-methylphenyl]methyl]propan-2-amine
CID 107514165
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
CID 141308047
2-(3,5-dimethylphenyl)-6-(2,2-dimethylpropyl)quinoline
CID 138464254

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol?
The IUPAC name of 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol (CID 20663028) is 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol.
What is the SMILES notation for 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol?
The canonical SMILES for 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol is C#CC(O)Cc1ccc2nc(-c3ccc(C)c(F)c3F)ccc2c1.
What is the InChIKey of 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol?
The InChIKey is VHYUPWTZEJLZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO/c1-3-15(24)11-13-5-8-17-14(10-13)6-9-18(23-17)16-7-4-12(2)19(21)20(16)22/h1,4-10,15,24H,11H2,2H3.
What are the key properties of 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol?
1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol has a molecular weight of 323.34 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-difluoro-4-methylphenyl)quinolin-6-yl]but-3-yn-2-ol is sourced from PubChem (CID 20663028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).