4-ethynyl-3H-quinolin-4-ol

C11H9NO — CID 175052401

IUPAC4-ethynyl-3H-quinolin-4-ol
SMILESC#CC1(O)CC=Nc2ccccc21
InChIInChI=1S/C11H9NO/c1-2-11(13)7-8-12-10-6-4-3-5-9(10)11/h1,3-6,8,13H,7H2
InChIKeySGSORTPOYSDWBY-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.61
Rot. Bonds

About 4-ethynyl-3H-quinolin-4-ol

4-ethynyl-3H-quinolin-4-ol (PubChem CID 175052401) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-ethynyl-3H-quinolin-4-ol.

Molecular Properties

Compound Name4-ethynyl-3H-quinolin-4-ol
PubChem CID175052401
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name4-ethynyl-3H-quinolin-4-ol
SMILESC#CC1(O)CC=Nc2ccccc21
InChIInChI=1S/C11H9NO/c1-2-11(13)7-8-12-10-6-4-3-5-9(10)11/h1,3-6,8,13H,7H2
InChIKeySGSORTPOYSDWBY-UHFFFAOYSA-N
XLogP1.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-3H-quinolin-4-ol?
The IUPAC name of 4-ethynyl-3H-quinolin-4-ol (CID 175052401) is 4-ethynyl-3H-quinolin-4-ol.
What is the SMILES notation for 4-ethynyl-3H-quinolin-4-ol?
The canonical SMILES for 4-ethynyl-3H-quinolin-4-ol is C#CC1(O)CC=Nc2ccccc21.
What is the InChIKey of 4-ethynyl-3H-quinolin-4-ol?
The InChIKey is SGSORTPOYSDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c1-2-11(13)7-8-12-10-6-4-3-5-9(10)11/h1,3-6,8,13H,7H2.
What are the key properties of 4-ethynyl-3H-quinolin-4-ol?
4-ethynyl-3H-quinolin-4-ol has a molecular weight of 171.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3H-quinolin-4-ol is sourced from PubChem (CID 175052401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).