isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol

C18H23NO2 — CID 114622205

IUPACisoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cncc3ccccc23)C(C)(C)O1
InChIInChI=1S/C18H23NO2/c1-17(2)9-15(18(3,4)21-17)16(20)14-11-19-10-12-7-5-6-8-13(12)14/h5-8,10-11,15-16,20H,9H2,1-4H3
InChIKeyDOZAMNNFOBBNRN-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds2

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

isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (PubChem CID 114622205) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.

Molecular Properties

Compound Nameisoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
PubChem CID114622205
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Nameisoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
SMILESCC1(C)CC(C(O)c2cncc3ccccc23)C(C)(C)O1
InChIInChI=1S/C18H23NO2/c1-17(2)9-15(18(3,4)21-17)16(20)14-11-19-10-12-7-5-6-8-13(12)14/h5-8,10-11,15-16,20H,9H2,1-4H3
InChIKeyDOZAMNNFOBBNRN-UHFFFAOYSA-N
XLogP3.86
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622719
(2-cyclopropylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622122
quinoxalin-2-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 107357753
(2,3-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622019
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
CID 115797918
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
pyrimidin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622059
(2,5-difluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622030
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479

Frequently Asked Questions

What is the IUPAC name of isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The IUPAC name of isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol (CID 114622205) is isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol.
What is the SMILES notation for isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The canonical SMILES for isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is CC1(C)CC(C(O)c2cncc3ccccc23)C(C)(C)O1.
What is the InChIKey of isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
The InChIKey is DOZAMNNFOBBNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-17(2)9-15(18(3,4)21-17)16(20)14-11-19-10-12-7-5-6-8-13(12)14/h5-8,10-11,15-16,20H,9H2,1-4H3.
What are the key properties of isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol?
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol has a molecular weight of 285.39 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol is sourced from PubChem (CID 114622205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).