2-isoquinolin-4-ylpentan-2-ol

C14H17NO — CID 80557388

IUPAC2-isoquinolin-4-ylpentan-2-ol
SMILESCCCC(C)(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO/c1-3-8-14(2,16)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyXCAIXJOXDXSOOE-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.24
Rot. Bonds3

About 2-isoquinolin-4-ylpentan-2-ol

2-isoquinolin-4-ylpentan-2-ol (PubChem CID 80557388) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-isoquinolin-4-ylpentan-2-ol.

Molecular Properties

Compound Name2-isoquinolin-4-ylpentan-2-ol
PubChem CID80557388
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-isoquinolin-4-ylpentan-2-ol
SMILESCCCC(C)(O)c1cncc2ccccc12
InChIInChI=1S/C14H17NO/c1-3-8-14(2,16)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,9-10,16H,3,8H2,1-2H3
InChIKeyXCAIXJOXDXSOOE-UHFFFAOYSA-N
XLogP3.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-ylpentan-2-ol?
The IUPAC name of 2-isoquinolin-4-ylpentan-2-ol (CID 80557388) is 2-isoquinolin-4-ylpentan-2-ol.
What is the SMILES notation for 2-isoquinolin-4-ylpentan-2-ol?
The canonical SMILES for 2-isoquinolin-4-ylpentan-2-ol is CCCC(C)(O)c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-ylpentan-2-ol?
The InChIKey is XCAIXJOXDXSOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-3-8-14(2,16)13-10-15-9-11-6-4-5-7-12(11)13/h4-7,9-10,16H,3,8H2,1-2H3.
What are the key properties of 2-isoquinolin-4-ylpentan-2-ol?
2-isoquinolin-4-ylpentan-2-ol has a molecular weight of 215.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-ylpentan-2-ol is sourced from PubChem (CID 80557388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).