1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol

C15H19NO2 — CID 103139145

IUPAC1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1cccc2ccncc12
InChIInChI=1S/C15H19NO2/c1-15(2,18-3)9-14(17)12-6-4-5-11-7-8-16-10-13(11)12/h4-8,10,14,17H,9H2,1-3H3
InChIKeyMRGFFVXDEOKPRF-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.08
Rot. Bonds4

About 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol

1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol (PubChem CID 103139145) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
PubChem CID103139145
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
SMILESCOC(C)(C)CC(O)c1cccc2ccncc12
InChIInChI=1S/C15H19NO2/c1-15(2,18-3)9-14(17)12-6-4-5-11-7-8-16-10-13(11)12/h4-8,10,14,17H,9H2,1-3H3
InChIKeyMRGFFVXDEOKPRF-UHFFFAOYSA-N
XLogP3.08
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-(3-fluoro-4-pyridinyl)-3-methoxy-3-methylbutan-1-ol
CID 103027695
3-methoxy-3-methyl-1-quinolin-5-ylbutan-1-ol
CID 103027648
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
3,3,3-trifluoro-1-isoquinolin-5-ylpropan-1-ol
CID 62813667
1-isoquinolin-5-yl-2-methoxyethanol
CID 62813668
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
CID 103143008
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
1-isoquinolin-8-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 103139051
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol?
The IUPAC name of 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol (CID 103139145) is 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol.
What is the SMILES notation for 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol?
The canonical SMILES for 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol is COC(C)(C)CC(O)c1cccc2ccncc12.
What is the InChIKey of 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol?
The InChIKey is MRGFFVXDEOKPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(2,18-3)9-14(17)12-6-4-5-11-7-8-16-10-13(11)12/h4-8,10,14,17H,9H2,1-3H3.
What are the key properties of 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol?
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol has a molecular weight of 245.32 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol is sourced from PubChem (CID 103139145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).