3-methoxy-1-quinolin-8-ylbutan-1-ol

C14H17NO2 — CID 113391294

IUPAC3-methoxy-1-quinolin-8-ylbutan-1-ol
SMILESCOC(C)CC(O)c1cccc2cccnc12
InChIInChI=1S/C14H17NO2/c1-10(17-2)9-13(16)12-7-3-5-11-6-4-8-15-14(11)12/h3-8,10,13,16H,9H2,1-2H3
InChIKeyMBIKTINCJNYBQS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.69
Rot. Bonds4

About 3-methoxy-1-quinolin-8-ylbutan-1-ol

3-methoxy-1-quinolin-8-ylbutan-1-ol (PubChem CID 113391294) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-methoxy-1-quinolin-8-ylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-quinolin-8-ylbutan-1-ol
PubChem CID113391294
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3-methoxy-1-quinolin-8-ylbutan-1-ol
SMILESCOC(C)CC(O)c1cccc2cccnc12
InChIInChI=1S/C14H17NO2/c1-10(17-2)9-13(16)12-7-3-5-11-6-4-8-15-14(11)12/h3-8,10,13,16H,9H2,1-2H3
InChIKeyMBIKTINCJNYBQS-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
2-methoxy-1-quinolin-8-ylbutan-1-ol
CID 116710945
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
4,4,4-trifluoro-1-quinolin-8-ylbutan-1-ol
CID 64566378
2-methoxy-3,3-dimethyl-1-quinolin-8-ylbutan-1-ol
CID 116713256
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
2-(4-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969152
2,2-diethoxy-1-quinolin-8-ylethanol
CID 81220226
2-(1-methylimidazol-2-yl)-1-quinolin-8-ylethanol
CID 79744882
2-(3,4-dichlorophenyl)-1-quinolin-8-ylethanol
CID 65148875
2-cyclopentyl-1-quinolin-8-ylethanol
CID 65149248
3-pyridin-4-yl-1-quinolin-8-ylpropan-1-ol
CID 105118771

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-quinolin-8-ylbutan-1-ol?
The IUPAC name of 3-methoxy-1-quinolin-8-ylbutan-1-ol (CID 113391294) is 3-methoxy-1-quinolin-8-ylbutan-1-ol.
What is the SMILES notation for 3-methoxy-1-quinolin-8-ylbutan-1-ol?
The canonical SMILES for 3-methoxy-1-quinolin-8-ylbutan-1-ol is COC(C)CC(O)c1cccc2cccnc12.
What is the InChIKey of 3-methoxy-1-quinolin-8-ylbutan-1-ol?
The InChIKey is MBIKTINCJNYBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(17-2)9-13(16)12-7-3-5-11-6-4-8-15-14(11)12/h3-8,10,13,16H,9H2,1-2H3.
What are the key properties of 3-methoxy-1-quinolin-8-ylbutan-1-ol?
3-methoxy-1-quinolin-8-ylbutan-1-ol has a molecular weight of 231.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-quinolin-8-ylbutan-1-ol is sourced from PubChem (CID 113391294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).