2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol

C16H19NO — CID 113483858

IUPAC2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol
SMILESCCC1CCCC1(O)c1cncc2ccccc12
InChIInChI=1S/C16H19NO/c1-2-13-7-5-9-16(13,18)15-11-17-10-12-6-3-4-8-14(12)15/h3-4,6,8,10-11,13,18H,2,5,7,9H2,1H3
InChIKeyLRZJQKCYXPWLKY-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.63
Rot. Bonds2

About 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol

2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol (PubChem CID 113483858) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol
PubChem CID113483858
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol
SMILESCCC1CCCC1(O)c1cncc2ccccc12
InChIInChI=1S/C16H19NO/c1-2-13-7-5-9-16(13,18)15-11-17-10-12-6-3-4-8-14(12)15/h3-4,6,8,10-11,13,18H,2,5,7,9H2,1H3
InChIKeyLRZJQKCYXPWLKY-UHFFFAOYSA-N
XLogP3.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol?
The IUPAC name of 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol (CID 113483858) is 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol.
What is the SMILES notation for 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol?
The canonical SMILES for 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol is CCC1CCCC1(O)c1cncc2ccccc12.
What is the InChIKey of 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol?
The InChIKey is LRZJQKCYXPWLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-13-7-5-9-16(13,18)15-11-17-10-12-6-3-4-8-14(12)15/h3-4,6,8,10-11,13,18H,2,5,7,9H2,1H3.
What are the key properties of 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol?
2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol has a molecular weight of 241.33 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-isoquinolin-4-ylcyclopentan-1-ol is sourced from PubChem (CID 113483858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).