(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone

C27H29FN4O2 — CID 121070512

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 121070512) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 121070512
• Molecular Formula: C27H29FN4O2
• Molecular Weight: 460.55 g/mol
• Exact Mass: 460.23
• IUPAC Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: COc1ccccc1-c1ccc(N2CCCC(C(=O)N3c4ccc(F)cc4CCC3C)C2)nn1
• InChI: InChI=1S/C27H29FN4O2/c1-18-9-10-19-16-21(28)11-13-24(19)32(18)27(33)20-6-5-15-31(17-20)26-14-12-23(29-30-26)22-7-3-4-8-25(22)34-2/h3-4,7-8,11-14,16,18,20H,5-6,9-10,15,17H2,1-2H3
• InChIKey: RXSXQHKBPTYAER-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 58.56 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.55
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 121070512) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone.

What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone is COc1ccccc1-c1ccc(N2CCCC(C(=O)N3c4ccc(F)cc4CCC3C)C2)nn1.

What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

The InChIKey is RXSXQHKBPTYAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-18-9-10-19-16-21(28)11-13-24(19)32(18)27(33)20-6-5-15-31(17-20)26-14-12-23(29-30-26)22-7-3-4-8-25(22)34-2/h3-4,7-8,11-14,16,18,20H,5-6,9-10,15,17H2,1-2H3.

What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone?

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 460.55 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 121070512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).