3-isoquinolin-4-yl-2-methylpentan-3-ol

C15H19NO — CID 63939556

IUPAC3-isoquinolin-4-yl-2-methylpentan-3-ol
SMILESCCC(O)(c1cncc2ccccc12)C(C)C
InChIInChI=1S/C15H19NO/c1-4-15(17,11(2)3)14-10-16-9-12-7-5-6-8-13(12)14/h5-11,17H,4H2,1-3H3
InChIKeyXEDCDZGNDFANKG-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds3

About 3-isoquinolin-4-yl-2-methylpentan-3-ol

3-isoquinolin-4-yl-2-methylpentan-3-ol (PubChem CID 63939556) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-isoquinolin-4-yl-2-methylpentan-3-ol.

Molecular Properties

Compound Name3-isoquinolin-4-yl-2-methylpentan-3-ol
PubChem CID63939556
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-isoquinolin-4-yl-2-methylpentan-3-ol
SMILESCCC(O)(c1cncc2ccccc12)C(C)C
InChIInChI=1S/C15H19NO/c1-4-15(17,11(2)3)14-10-16-9-12-7-5-6-8-13(12)14/h5-11,17H,4H2,1-3H3
InChIKeyXEDCDZGNDFANKG-UHFFFAOYSA-N
XLogP3.49
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-4-yl-2-methylpentan-3-ol?
The IUPAC name of 3-isoquinolin-4-yl-2-methylpentan-3-ol (CID 63939556) is 3-isoquinolin-4-yl-2-methylpentan-3-ol.
What is the SMILES notation for 3-isoquinolin-4-yl-2-methylpentan-3-ol?
The canonical SMILES for 3-isoquinolin-4-yl-2-methylpentan-3-ol is CCC(O)(c1cncc2ccccc12)C(C)C.
What is the InChIKey of 3-isoquinolin-4-yl-2-methylpentan-3-ol?
The InChIKey is XEDCDZGNDFANKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-4-15(17,11(2)3)14-10-16-9-12-7-5-6-8-13(12)14/h5-11,17H,4H2,1-3H3.
What are the key properties of 3-isoquinolin-4-yl-2-methylpentan-3-ol?
3-isoquinolin-4-yl-2-methylpentan-3-ol has a molecular weight of 229.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-4-yl-2-methylpentan-3-ol is sourced from PubChem (CID 63939556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).