3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one

C17H19N3O2 — CID 59376546

IUPAC3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2)c2ccc(C(C)C)nc12
InChIInChI=1S/C17H19N3O2/c1-10(2)13-6-4-12-11(14-7-9-16(21)20-19-14)5-8-15(22-3)17(12)18-13/h4-6,8,10H,7,9H2,1-3H3,(H,20,21)
InChIKeyIPVDJOVQFVFAMR-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.98
Rot. Bonds3

About 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one

3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 59376546) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID59376546
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(C2=NNC(=O)CC2)c2ccc(C(C)C)nc12
InChIInChI=1S/C17H19N3O2/c1-10(2)13-6-4-12-11(14-7-9-16(21)20-19-14)5-8-15(22-3)17(12)18-13/h4-6,8,10H,7,9H2,1-3H3,(H,20,21)
InChIKeyIPVDJOVQFVFAMR-UHFFFAOYSA-N
XLogP2.98
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one (CID 59376546) is 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(C2=NNC(=O)CC2)c2ccc(C(C)C)nc12.
What is the InChIKey of 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is IPVDJOVQFVFAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-10(2)13-6-4-12-11(14-7-9-16(21)20-19-14)5-8-15(22-3)17(12)18-13/h4-6,8,10H,7,9H2,1-3H3,(H,20,21).
What are the key properties of 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one?
3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 297.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methoxy-2-propan-2-ylquinolin-5-yl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 59376546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).