1-quinolin-3-ylbut-3-en-1-ol

C13H13NO — CID 77273716

IUPAC1-quinolin-3-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cnc2ccccc2c1
InChIInChI=1S/C13H13NO/c1-2-5-13(15)11-8-10-6-3-4-7-12(10)14-9-11/h2-4,6-9,13,15H,1,5H2
InChIKeyWIDCLFFCFGFONX-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.84
Rot. Bonds3

About 1-quinolin-3-ylbut-3-en-1-ol

1-quinolin-3-ylbut-3-en-1-ol (PubChem CID 77273716) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-quinolin-3-ylbut-3-en-1-ol.

Molecular Properties

Compound Name1-quinolin-3-ylbut-3-en-1-ol
PubChem CID77273716
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name1-quinolin-3-ylbut-3-en-1-ol
SMILESC=CCC(O)c1cnc2ccccc2c1
InChIInChI=1S/C13H13NO/c1-2-5-13(15)11-8-10-6-3-4-7-12(10)14-9-11/h2-4,6-9,13,15H,1,5H2
InChIKeyWIDCLFFCFGFONX-UHFFFAOYSA-N
XLogP2.84
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-quinolin-3-ylbut-3-en-1-amine
CID 55271973
1-quinolin-3-ylbutan-1-ol
CID 60924193
fluoro(quinolin-3-yl)methanol
CID 163892772
1-thieno[3,2-b]pyridin-6-ylbut-3-en-1-ol
CID 81144232
1-(2-chloroquinolin-3-yl)but-3-en-1-ol
CID 102324582
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
2-amino-2-quinolin-3-ylethanol;ethene
CID 142317274
4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
CID 105079373
2-cyclohexylsulfanyl-1-quinolin-3-ylethanol
CID 65140040
2-(2-chloro-6-fluorophenyl)-1-quinolin-3-ylethanol
CID 63022138

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-ylbut-3-en-1-ol?
The IUPAC name of 1-quinolin-3-ylbut-3-en-1-ol (CID 77273716) is 1-quinolin-3-ylbut-3-en-1-ol.
What is the SMILES notation for 1-quinolin-3-ylbut-3-en-1-ol?
The canonical SMILES for 1-quinolin-3-ylbut-3-en-1-ol is C=CCC(O)c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-ylbut-3-en-1-ol?
The InChIKey is WIDCLFFCFGFONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-5-13(15)11-8-10-6-3-4-7-12(10)14-9-11/h2-4,6-9,13,15H,1,5H2.
What are the key properties of 1-quinolin-3-ylbut-3-en-1-ol?
1-quinolin-3-ylbut-3-en-1-ol has a molecular weight of 199.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-ylbut-3-en-1-ol is sourced from PubChem (CID 77273716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).