1-quinolin-6-ylbutane-1,2-diol

C13H15NO2 — CID 103454747

IUPAC1-quinolin-6-ylbutane-1,2-diol
SMILESCCC(O)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C13H15NO2/c1-2-12(15)13(16)10-5-6-11-9(8-10)4-3-7-14-11/h3-8,12-13,15-16H,2H2,1H3
InChIKeyMSEAIYJQGUMUDK-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.04
Rot. Bonds3

About 1-quinolin-6-ylbutane-1,2-diol

1-quinolin-6-ylbutane-1,2-diol (PubChem CID 103454747) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-quinolin-6-ylbutane-1,2-diol.

Molecular Properties

Compound Name1-quinolin-6-ylbutane-1,2-diol
PubChem CID103454747
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-quinolin-6-ylbutane-1,2-diol
SMILESCCC(O)C(O)c1ccc2ncccc2c1
InChIInChI=1S/C13H15NO2/c1-2-12(15)13(16)10-5-6-11-9(8-10)4-3-7-14-11/h3-8,12-13,15-16H,2H2,1H3
InChIKeyMSEAIYJQGUMUDK-UHFFFAOYSA-N
XLogP2.04
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-propyl-1-quinolin-6-ylpentan-1-ol
CID 115826786
ethyl 3,4-dihydroxy-4-quinolin-6-ylbutanoate
CID 171897595
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
(1R)-4-iodo-1-quinolin-6-ylpent-3-en-1-ol
CID 86586613
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
2-[hydroxy(quinolin-6-yl)methyl]-3-methylbutanoic acid
CID 63973005
2-(3,5-dimethylphenyl)-1-quinolin-6-ylethanol
CID 63095266
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
[(2S)-2-hydroxy-2-quinolin-6-ylethyl]azanium
CID 7016270
1-quinolin-7-ylpropane-1,2,3-triol
CID 170818071
ethyl (2R)-2-quinolin-6-ylpropanoate
CID 86328869
methyl 2,3-dihydroxy-3-quinolin-6-ylpropanoate
CID 171864271

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-ylbutane-1,2-diol?
The IUPAC name of 1-quinolin-6-ylbutane-1,2-diol (CID 103454747) is 1-quinolin-6-ylbutane-1,2-diol.
What is the SMILES notation for 1-quinolin-6-ylbutane-1,2-diol?
The canonical SMILES for 1-quinolin-6-ylbutane-1,2-diol is CCC(O)C(O)c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-ylbutane-1,2-diol?
The InChIKey is MSEAIYJQGUMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-2-12(15)13(16)10-5-6-11-9(8-10)4-3-7-14-11/h3-8,12-13,15-16H,2H2,1H3.
What are the key properties of 1-quinolin-6-ylbutane-1,2-diol?
1-quinolin-6-ylbutane-1,2-diol has a molecular weight of 217.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-ylbutane-1,2-diol is sourced from PubChem (CID 103454747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).