7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol

C17H19NO — CID 115798046

IUPAC7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
SMILESOC(c1cncc2ccccc12)C1C2CCCCC21
InChIInChI=1S/C17H19NO/c19-17(16-13-7-3-4-8-14(13)16)15-10-18-9-11-5-1-2-6-12(11)15/h1-2,5-6,9-10,13-14,16-17,19H,3-4,7-8H2
InChIKeyZRXOTGIIYFXYTL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.70
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol

7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol (PubChem CID 115798046) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
PubChem CID115798046
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
SMILESOC(c1cncc2ccccc12)C1C2CCCCC21
InChIInChI=1S/C17H19NO/c19-17(16-13-7-3-4-8-14(13)16)15-10-18-9-11-5-1-2-6-12(11)15/h1-2,5-6,9-10,13-14,16-17,19H,3-4,7-8H2
InChIKeyZRXOTGIIYFXYTL-UHFFFAOYSA-N
XLogP3.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-1-isoquinolin-4-ylethanol
CID 115798049
3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
CID 115797918
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
CID 104504591
[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
(4-cyclopropylphenyl)-isoquinolin-4-ylmethanol
CID 79970972
(1,4-dimethylpiperazin-2-yl)-isoquinolin-4-ylmethanol
CID 79659479
isoquinolin-4-yl-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622205

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol (CID 115798046) is 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol is OC(c1cncc2ccccc12)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol?
The InChIKey is ZRXOTGIIYFXYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-17(16-13-7-3-4-8-14(13)16)15-10-18-9-11-5-1-2-6-12(11)15/h1-2,5-6,9-10,13-14,16-17,19H,3-4,7-8H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol?
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol has a molecular weight of 253.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol is sourced from PubChem (CID 115798046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).