(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone

C₁₆H₁₃N₃O — CID 105121617

About (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone

(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone (PubChem CID 105121617) has the molecular formula C₁₆H₁₃N₃O and a molecular weight of 263.30 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone.

Molecular Properties

• Compound Name: (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
• PubChem CID: 105121617
• Molecular Formula: C₁₆H₁₃N₃O
• Molecular Weight: 263.30 g/mol
• Exact Mass: 263.11
• IUPAC Name: (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
• SMILES: Cc1cc(C(=O)c2ccc3ncccc3c2)c(C)nn1
• InChI: InChI=1S/C16H13N3O/c1-10-8-14(11(2)19-18-10)16(20)13-5-6-15-12(9-13)4-3-7-17-15/h3-9H,1-2H3
• InChIKey: GGQFOMWCXDPZGN-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 55.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.30
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?

The IUPAC name of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone (CID 105121617) is (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone.

What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?

The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone is Cc1cc(C(=O)c2ccc3ncccc3c2)c(C)nn1.

What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?

The InChIKey is GGQFOMWCXDPZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-10-8-14(11(2)19-18-10)16(20)13-5-6-15-12(9-13)4-3-7-17-15/h3-9H,1-2H3.

What are the key properties of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?

(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone has a molecular weight of 263.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 105121617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105121617 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.