(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol

C18H19NOS — CID 103143008

IUPAC(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
SMILESCC(C)(C)c1ccc(C(O)c2cccc3ccncc23)s1
InChIInChI=1S/C18H19NOS/c1-18(2,3)16-8-7-15(21-16)17(20)13-6-4-5-12-9-10-19-11-14(12)13/h4-11,17,20H,1-3H3
InChIKeyYQFBRPJCDYPRLT-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.68
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol

(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol (PubChem CID 103143008) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
PubChem CID103143008
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
SMILESCC(C)(C)c1ccc(C(O)c2cccc3ccncc23)s1
InChIInChI=1S/C18H19NOS/c1-18(2,3)16-8-7-15(21-16)17(20)13-6-4-5-12-9-10-19-11-14(12)13/h4-11,17,20H,1-3H3
InChIKeyYQFBRPJCDYPRLT-UHFFFAOYSA-N
XLogP4.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dichlorothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 107969985
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
(5-chlorofuran-2-yl)-isoquinolin-8-ylmethanol
CID 106694109
isoquinolin-8-yl-(3-methoxy-4-pyridinyl)methanol
CID 103139118
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
(4-chlorophenyl)-isoquinolin-8-ylmethanol
CID 103139329
isoquinolin-8-yl-(2-methylpyrimidin-4-yl)methanol
CID 103143046
(3,5-dichlorophenyl)-isoquinolin-8-ylmethanol
CID 103139219
isoquinolin-8-yl-(3,4,5-trifluorophenyl)methanol
CID 103139324
(3-ethylimidazol-4-yl)-isoquinolin-8-ylmethanol
CID 103142939
isoquinolin-8-yl-(3-propan-2-ylimidazol-4-yl)methanol
CID 103142942
(5-iodothiophen-3-yl)-isoquinolin-8-ylmethanol
CID 103139479

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol (CID 103143008) is (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol is CC(C)(C)c1ccc(C(O)c2cccc3ccncc23)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol?
The InChIKey is YQFBRPJCDYPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-18(2,3)16-8-7-15(21-16)17(20)13-6-4-5-12-9-10-19-11-14(12)13/h4-11,17,20H,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol?
(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol has a molecular weight of 297.42 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol is sourced from PubChem (CID 103143008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).