2-cycloheptyl-1-isoquinolin-4-ylethanol

C18H23NO — CID 115798049

IUPAC2-cycloheptyl-1-isoquinolin-4-ylethanol
SMILESOC(CC1CCCCCC1)c1cncc2ccccc12
InChIInChI=1S/C18H23NO/c20-18(11-14-7-3-1-2-4-8-14)17-13-19-12-15-9-5-6-10-16(15)17/h5-6,9-10,12-14,18,20H,1-4,7-8,11H2
InChIKeyNRCJJGRICGHZKY-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.63
Rot. Bonds3

About 2-cycloheptyl-1-isoquinolin-4-ylethanol

2-cycloheptyl-1-isoquinolin-4-ylethanol (PubChem CID 115798049) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cycloheptyl-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-cycloheptyl-1-isoquinolin-4-ylethanol
PubChem CID115798049
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-cycloheptyl-1-isoquinolin-4-ylethanol
SMILESOC(CC1CCCCCC1)c1cncc2ccccc12
InChIInChI=1S/C18H23NO/c20-18(11-14-7-3-1-2-4-8-14)17-13-19-12-15-9-5-6-10-16(15)17/h5-6,9-10,12-14,18,20H,1-4,7-8,11H2
InChIKeyNRCJJGRICGHZKY-UHFFFAOYSA-N
XLogP4.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[cyclohexyl(isoquinolin-4-yl)methyl]hydrazine
CID 105201816
7-bicyclo[4.1.0]heptanyl(isoquinolin-4-yl)methanol
CID 115798046
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
1-isoquinolin-4-yl-2-methoxyethanol
CID 63940937
cyclopropyl(isoquinolin-4-yl)methanamine
CID 63939976
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
3-bicyclo[3.1.0]hexanyl(isoquinolin-4-yl)methanol
CID 115797918
ethyl 3-hydroxy-3-isoquinolin-4-ylpropanoate
CID 104505059
2-cyclohexylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65139951
2-cycloheptyl-1-naphthalen-1-ylethanamine
CID 114457695
(1R)-1-isoquinolin-4-ylethanol
CID 102064621

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-isoquinolin-4-ylethanol?
The IUPAC name of 2-cycloheptyl-1-isoquinolin-4-ylethanol (CID 115798049) is 2-cycloheptyl-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-cycloheptyl-1-isoquinolin-4-ylethanol?
The canonical SMILES for 2-cycloheptyl-1-isoquinolin-4-ylethanol is OC(CC1CCCCCC1)c1cncc2ccccc12.
What is the InChIKey of 2-cycloheptyl-1-isoquinolin-4-ylethanol?
The InChIKey is NRCJJGRICGHZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-18(11-14-7-3-1-2-4-8-14)17-13-19-12-15-9-5-6-10-16(15)17/h5-6,9-10,12-14,18,20H,1-4,7-8,11H2.
What are the key properties of 2-cycloheptyl-1-isoquinolin-4-ylethanol?
2-cycloheptyl-1-isoquinolin-4-ylethanol has a molecular weight of 269.39 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 115798049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).