isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol

C17H21NO2 — CID 103139647

IUPACisoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cccc3ccncc23)C1C
InChIInChI=1S/C17H21NO2/c1-10-11(2)20-12(3)16(10)17(19)14-6-4-5-13-7-8-18-9-15(13)14/h4-12,16-17,19H,1-3H3
InChIKeyQKMHMTYUXAIZMH-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.33
Rot. Bonds2

About isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol

isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol (PubChem CID 103139647) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol
PubChem CID103139647
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Nameisoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol
SMILESCC1OC(C)C(C(O)c2cccc3ccncc23)C1C
InChIInChI=1S/C17H21NO2/c1-10-11(2)20-12(3)16(10)17(19)14-6-4-5-13-7-8-18-9-15(13)14/h4-12,16-17,19H,1-3H3
InChIKeyQKMHMTYUXAIZMH-UHFFFAOYSA-N
XLogP3.33
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

naphthalen-1-yl-(2,4,5-trimethyloxolan-3-yl)methanol
CID 65157994
[4-(trifluoromethyl)-3-pyridinyl]-(2,4,5-trimethyloxolan-3-yl)methanol
CID 102710226
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
isoquinolin-8-yl-(4-methylmorpholin-2-yl)methanol
CID 103143463
1-isoquinolin-8-yl-3-methoxy-3-methylbutan-1-ol
CID 103139145
1-isoquinolin-8-yl-2-phenylsulfanylethanol
CID 103139302
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
2-cyclohexylsulfanyl-1-isoquinolin-8-ylethanol
CID 103143427
(2-propan-2-yloxyphenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 115823700
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine
CID 103137397
isoquinolin-8-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 103143523

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
The IUPAC name of isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol (CID 103139647) is isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol.
What is the SMILES notation for isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
The canonical SMILES for isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol is CC1OC(C)C(C(O)c2cccc3ccncc23)C1C.
What is the InChIKey of isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
The InChIKey is QKMHMTYUXAIZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-11(2)20-12(3)16(10)17(19)14-6-4-5-13-7-8-18-9-15(13)14/h4-12,16-17,19H,1-3H3.
What are the key properties of isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol?
isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol has a molecular weight of 271.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(2,4,5-trimethyloxolan-3-yl)methanol is sourced from PubChem (CID 103139647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).