2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol

C16H15N3O — CID 104504582

IUPAC2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol
SMILESNc1cc(CC(O)c2cncc3ccccc23)ccn1
InChIInChI=1S/C16H15N3O/c17-16-8-11(5-6-19-16)7-15(20)14-10-18-9-12-3-1-2-4-13(12)14/h1-6,8-10,15,20H,7H2,(H2,17,19)
InChIKeyFPURYGPMYXBORT-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.49
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol

2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol (PubChem CID 104504582) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol
PubChem CID104504582
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol
SMILESNc1cc(CC(O)c2cncc3ccccc23)ccn1
InChIInChI=1S/C16H15N3O/c17-16-8-11(5-6-19-16)7-15(20)14-10-18-9-12-3-1-2-4-13(12)14/h1-6,8-10,15,20H,7H2,(H2,17,19)
InChIKeyFPURYGPMYXBORT-UHFFFAOYSA-N
XLogP2.49
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol (CID 104504582) is 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol is Nc1cc(CC(O)c2cncc3ccccc23)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol?
The InChIKey is FPURYGPMYXBORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16-8-11(5-6-19-16)7-15(20)14-10-18-9-12-3-1-2-4-13(12)14/h1-6,8-10,15,20H,7H2,(H2,17,19).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol?
2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol has a molecular weight of 265.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 104504582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).