6-quinolin-2-ylhex-5-yn-1-ol

C15H15NO — CID 58269860

IUPAC6-quinolin-2-ylhex-5-yn-1-ol
SMILESOCCCCC#Cc1ccc2ccccc2n1
InChIInChI=1S/C15H15NO/c17-12-6-2-1-3-8-14-11-10-13-7-4-5-9-15(13)16-14/h4-5,7,9-11,17H,1-2,6,12H2
InChIKeyCEWLGCXTQSXWGP-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.75
Rot. Bonds3

About 6-quinolin-2-ylhex-5-yn-1-ol

6-quinolin-2-ylhex-5-yn-1-ol (PubChem CID 58269860) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-quinolin-2-ylhex-5-yn-1-ol.

Molecular Properties

Compound Name6-quinolin-2-ylhex-5-yn-1-ol
PubChem CID58269860
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name6-quinolin-2-ylhex-5-yn-1-ol
SMILESOCCCCC#Cc1ccc2ccccc2n1
InChIInChI=1S/C15H15NO/c17-12-6-2-1-3-8-14-11-10-13-7-4-5-9-15(13)16-14/h4-5,7,9-11,17H,1-2,6,12H2
InChIKeyCEWLGCXTQSXWGP-UHFFFAOYSA-N
XLogP2.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.75
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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Frequently Asked Questions

What is the IUPAC name of 6-quinolin-2-ylhex-5-yn-1-ol?
The IUPAC name of 6-quinolin-2-ylhex-5-yn-1-ol (CID 58269860) is 6-quinolin-2-ylhex-5-yn-1-ol.
What is the SMILES notation for 6-quinolin-2-ylhex-5-yn-1-ol?
The canonical SMILES for 6-quinolin-2-ylhex-5-yn-1-ol is OCCCCC#Cc1ccc2ccccc2n1.
What is the InChIKey of 6-quinolin-2-ylhex-5-yn-1-ol?
The InChIKey is CEWLGCXTQSXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c17-12-6-2-1-3-8-14-11-10-13-7-4-5-9-15(13)16-14/h4-5,7,9-11,17H,1-2,6,12H2.
What are the key properties of 6-quinolin-2-ylhex-5-yn-1-ol?
6-quinolin-2-ylhex-5-yn-1-ol has a molecular weight of 225.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinolin-2-ylhex-5-yn-1-ol is sourced from PubChem (CID 58269860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).