10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine

C14H14N4O — CID 70432067

IUPAC10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine
SMILESCOCCc1cccc2c(N)nc3ccnnc3c12
InChIInChI=1S/C14H14N4O/c1-19-8-6-9-3-2-4-10-12(9)13-11(17-14(10)15)5-7-16-18-13/h2-5,7H,6,8H2,1H3,(H2,15,17)
InChIKeyZLIVQMHLOBNOLB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.95
Rot. Bonds3

About 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine

10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine (PubChem CID 70432067) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine.

Molecular Properties

Compound Name10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine
PubChem CID70432067
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine
SMILESCOCCc1cccc2c(N)nc3ccnnc3c12
InChIInChI=1S/C14H14N4O/c1-19-8-6-9-3-2-4-10-12(9)13-11(17-14(10)15)5-7-16-18-13/h2-5,7H,6,8H2,1H3,(H2,15,17)
InChIKeyZLIVQMHLOBNOLB-UHFFFAOYSA-N
XLogP1.95
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine?
The IUPAC name of 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine (CID 70432067) is 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine.
What is the SMILES notation for 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine?
The canonical SMILES for 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine is COCCc1cccc2c(N)nc3ccnnc3c12.
What is the InChIKey of 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine?
The InChIKey is ZLIVQMHLOBNOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-8-6-9-3-2-4-10-12(9)13-11(17-14(10)15)5-7-16-18-13/h2-5,7H,6,8H2,1H3,(H2,15,17).
What are the key properties of 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine?
10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine has a molecular weight of 254.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyethyl)pyridazino[4,3-c]isoquinolin-6-amine is sourced from PubChem (CID 70432067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).