4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol

C17H10FNO2 — CID 135458128

IUPAC4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol
SMILESC#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H10FNO2/c1-2-10-8-16(11-3-6-17(21)14(18)7-11)19-15-5-4-12(20)9-13(10)15/h1,3-9,20-21H
InChIKeyAJYPSMBESAILOW-UHFFFAOYSA-N
MW279.27 g/mol
LogP3.43
Rot. Bonds1

About 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol

4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol (PubChem CID 135458128) has the molecular formula C17H10FNO2 and a molecular weight of 279.27 g/mol. Its IUPAC name is 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol.

Molecular Properties

Compound Name4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol
PubChem CID135458128
Molecular FormulaC17H10FNO2
Molecular Weight279.27 g/mol
Exact Mass279.07
IUPAC Name4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol
SMILESC#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12
InChIInChI=1S/C17H10FNO2/c1-2-10-8-16(11-3-6-17(21)14(18)7-11)19-15-5-4-12(20)9-13(10)15/h1,3-9,20-21H
InChIKeyAJYPSMBESAILOW-UHFFFAOYSA-N
XLogP3.43
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
The IUPAC name of 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol (CID 135458128) is 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol.
What is the SMILES notation for 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
The canonical SMILES for 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol is C#Cc1cc(-c2ccc(O)c(F)c2)nc2ccc(O)cc12.
What is the InChIKey of 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
The InChIKey is AJYPSMBESAILOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNO2/c1-2-10-8-16(11-3-6-17(21)14(18)7-11)19-15-5-4-12(20)9-13(10)15/h1,3-9,20-21H.
What are the key properties of 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol?
4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol has a molecular weight of 279.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-(3-fluoro-4-hydroxyphenyl)quinolin-6-ol is sourced from PubChem (CID 135458128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).