(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone

C15H11N3O — CID 116605172

IUPAC(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone
SMILESNc1ccc(C(=O)c2cncc3ccccc23)nc1
InChIInChI=1S/C15H11N3O/c16-11-5-6-14(18-8-11)15(19)13-9-17-7-10-3-1-2-4-12(10)13/h1-9H,16H2
InChIKeyIZCDHLXGMDUHCC-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.44
Rot. Bonds2

About (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone

(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone (PubChem CID 116605172) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone
PubChem CID116605172
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone
SMILESNc1ccc(C(=O)c2cncc3ccccc23)nc1
InChIInChI=1S/C15H11N3O/c16-11-5-6-14(18-8-11)15(19)13-9-17-7-10-3-1-2-4-12(10)13/h1-9H,16H2
InChIKeyIZCDHLXGMDUHCC-UHFFFAOYSA-N
XLogP2.44
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone?
The IUPAC name of (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone (CID 116605172) is (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone?
The canonical SMILES for (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone is Nc1ccc(C(=O)c2cncc3ccccc23)nc1.
What is the InChIKey of (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone?
The InChIKey is IZCDHLXGMDUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c16-11-5-6-14(18-8-11)15(19)13-9-17-7-10-3-1-2-4-12(10)13/h1-9H,16H2.
What are the key properties of (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone?
(5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone has a molecular weight of 249.27 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-isoquinolin-4-ylmethanone is sourced from PubChem (CID 116605172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).