1-quinolin-3-ylbutan-1-ol

C13H15NO — CID 60924193

IUPAC1-quinolin-3-ylbutan-1-ol
SMILESCCCC(O)c1cnc2ccccc2c1
InChIInChI=1S/C13H15NO/c1-2-5-13(15)11-8-10-6-3-4-7-12(10)14-9-11/h3-4,6-9,13,15H,2,5H2,1H3
InChIKeyFATOHLOPFLWDLJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.07
Rot. Bonds3

About 1-quinolin-3-ylbutan-1-ol

1-quinolin-3-ylbutan-1-ol (PubChem CID 60924193) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-quinolin-3-ylbutan-1-ol.

Molecular Properties

Compound Name1-quinolin-3-ylbutan-1-ol
PubChem CID60924193
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name1-quinolin-3-ylbutan-1-ol
SMILESCCCC(O)c1cnc2ccccc2c1
InChIInChI=1S/C13H15NO/c1-2-5-13(15)11-8-10-6-3-4-7-12(10)14-9-11/h3-4,6-9,13,15H,2,5H2,1H3
InChIKeyFATOHLOPFLWDLJ-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-1-quinolin-3-ylbutan-1-ol
CID 105079383
1-quinolin-3-ylbutylhydrazine
CID 105202157
1-quinolin-3-yl-4-thiophen-2-ylbutan-1-ol
CID 105079373
1-quinolin-3-ylbut-3-en-1-ol
CID 77273716
fluoro(quinolin-3-yl)methanol
CID 163892772
2,2-dimethyl-1-quinolin-3-ylpropan-1-ol
CID 60924299
1-quinolin-3-ylnonylhydrazine
CID 105286952
ethyl (3S)-3-amino-3-quinolin-3-ylpropanoate
CID 34177500
1-quinolin-3-yl-2-thiophen-3-ylethanol
CID 105079392
(4-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893046
(2-ethoxyphenyl)-quinolin-3-ylmethanol
CID 63893818
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-3-ylbutan-1-ol?
The IUPAC name of 1-quinolin-3-ylbutan-1-ol (CID 60924193) is 1-quinolin-3-ylbutan-1-ol.
What is the SMILES notation for 1-quinolin-3-ylbutan-1-ol?
The canonical SMILES for 1-quinolin-3-ylbutan-1-ol is CCCC(O)c1cnc2ccccc2c1.
What is the InChIKey of 1-quinolin-3-ylbutan-1-ol?
The InChIKey is FATOHLOPFLWDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-2-5-13(15)11-8-10-6-3-4-7-12(10)14-9-11/h3-4,6-9,13,15H,2,5H2,1H3.
What are the key properties of 1-quinolin-3-ylbutan-1-ol?
1-quinolin-3-ylbutan-1-ol has a molecular weight of 201.27 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-3-ylbutan-1-ol is sourced from PubChem (CID 60924193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).