N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine

C26H24N6O — CID 108779051

About N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine (PubChem CID 108779051) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine.

Molecular Properties

• Compound Name: N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine
• PubChem CID: 108779051
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine
• SMILES: COc1cccc2c(C)cc(-n3nc(C)cc3Nc3ccc(-c4ccc(C)cc4)nn3)nc12
• InChI: InChI=1S/C26H24N6O/c1-16-8-10-19(11-9-16)21-12-13-23(30-29-21)27-25-15-18(3)31-32(25)24-14-17(2)20-6-5-7-22(33-4)26(20)28-24/h5-15H,1-4H3,(H,27,30)
• InChIKey: CCGFYFGQVOLURQ-UHFFFAOYSA-N
• XLogP: 5.55
• TPSA: 77.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine?

The IUPAC name of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine (CID 108779051) is N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine.

What is the SMILES notation for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine?

The canonical SMILES for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine is COc1cccc2c(C)cc(-n3nc(C)cc3Nc3ccc(-c4ccc(C)cc4)nn3)nc12.

What is the InChIKey of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine?

The InChIKey is CCGFYFGQVOLURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-16-8-10-19(11-9-16)21-12-13-23(30-29-21)27-25-15-18(3)31-32(25)24-14-17(2)20-6-5-7-22(33-4)26(20)28-24/h5-15H,1-4H3,(H,27,30).

What are the key properties of N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine?

N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine has a molecular weight of 436.52 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-methoxy-4-methylquinolin-2-yl)-5-methylpyrazol-3-yl]-6-(4-methylphenyl)pyridazin-3-amine is sourced from PubChem (CID 108779051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).