4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol

C14H12FNO — CID 66783994

IUPAC4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(F)c2cccnc12
InChIInChI=1S/C14H12FNO/c1-14(2,17)8-7-10-5-6-12(15)11-4-3-9-16-13(10)11/h3-6,9,17H,1-2H3
InChIKeyKWVHKSLJAXBHKK-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.50
Rot. Bonds

About 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol

4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol (PubChem CID 66783994) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol
PubChem CID66783994
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1ccc(F)c2cccnc12
InChIInChI=1S/C14H12FNO/c1-14(2,17)8-7-10-5-6-12(15)11-4-3-9-16-13(10)11/h3-6,9,17H,1-2H3
InChIKeyKWVHKSLJAXBHKK-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Quinoline
CID 7047
6-Methylquinoline
CID 7059
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
3-Methylquinoline
CID 11926
6-Isopropylquinoline
CID 67285
Quinoline 1-oxide
CID 15366
7-Methylquinoline
CID 11927
Quinolinium, 1-ethyl-, iodide (1:1)
CID 69446
(Isobutyl)quinoline
CID 74005
6-(sec-Butyl)quinoline
CID 103401
5-Methylquinoline
CID 24312

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol (CID 66783994) is 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1ccc(F)c2cccnc12.
What is the InChIKey of 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol?
The InChIKey is KWVHKSLJAXBHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-14(2,17)8-7-10-5-6-12(15)11-4-3-9-16-13(10)11/h3-6,9,17H,1-2H3.
What are the key properties of 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol?
4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol has a molecular weight of 229.25 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoroquinolin-8-yl)-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 66783994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).