2-hex-5-ynylquinolin-8-ol

C15H15NO — CID 87555229

IUPAC2-hex-5-ynylquinolin-8-ol
SMILESC#CCCCCc1ccc2cccc(O)c2n1
InChIInChI=1S/C15H15NO/c1-2-3-4-5-8-13-11-10-12-7-6-9-14(17)15(12)16-13/h1,6-7,9-11,17H,3-5,8H2
InChIKeyFOZVBFJNXVBYAM-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.29
Rot. Bonds4

About 2-hex-5-ynylquinolin-8-ol

2-hex-5-ynylquinolin-8-ol (PubChem CID 87555229) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-hex-5-ynylquinolin-8-ol.

Molecular Properties

Compound Name2-hex-5-ynylquinolin-8-ol
PubChem CID87555229
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name2-hex-5-ynylquinolin-8-ol
SMILESC#CCCCCc1ccc2cccc(O)c2n1
InChIInChI=1S/C15H15NO/c1-2-3-4-5-8-13-11-10-12-7-6-9-14(17)15(12)16-13/h1,6-7,9-11,17H,3-5,8H2
InChIKeyFOZVBFJNXVBYAM-UHFFFAOYSA-N
XLogP3.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-ynylquinolin-8-ol
CID 87394450
2-[6-(9-aminononylamino)hexyl]quinolin-8-ol
CID 158463951
CID 10695390
CID 10695390
2-(3-piperazin-1-ylpropyl)quinolin-8-ol
CID 170868281
2-(3-hydroxyprop-2-enyl)quinolin-8-ol
CID 66837760
2-heptyl-1,10-phenanthroline
CID 150280165
2-methyl-9-[4-(9-methyl-1,10-phenanthrolin-2-yl)butyl]-1,10-phenanthroline
CID 102368622
quinolin-8-ol;yttrium
CID 174635627
CID 54604144
CID 54604144
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
2-[[benzyl-[(8-hydroxyquinolin-2-yl)methyl]amino]methyl]quinolin-8-ol
CID 67454262
2-(2-methylpropoxymethyl)quinolin-8-ol
CID 175691376

Frequently Asked Questions

What is the IUPAC name of 2-hex-5-ynylquinolin-8-ol?
The IUPAC name of 2-hex-5-ynylquinolin-8-ol (CID 87555229) is 2-hex-5-ynylquinolin-8-ol.
What is the SMILES notation for 2-hex-5-ynylquinolin-8-ol?
The canonical SMILES for 2-hex-5-ynylquinolin-8-ol is C#CCCCCc1ccc2cccc(O)c2n1.
What is the InChIKey of 2-hex-5-ynylquinolin-8-ol?
The InChIKey is FOZVBFJNXVBYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-3-4-5-8-13-11-10-12-7-6-9-14(17)15(12)16-13/h1,6-7,9-11,17H,3-5,8H2.
What are the key properties of 2-hex-5-ynylquinolin-8-ol?
2-hex-5-ynylquinolin-8-ol has a molecular weight of 225.29 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hex-5-ynylquinolin-8-ol is sourced from PubChem (CID 87555229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).