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

C25H26FN5O — CID 121071011

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

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 121071011) has the molecular formula C25H26FN5O and a molecular weight of 431.52 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
• PubChem CID: 121071011
• Molecular Formula: C25H26FN5O
• Molecular Weight: 431.52 g/mol
• Exact Mass: 431.21
• IUPAC Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
• SMILES: CC1CCc2cc(F)ccc2N1C(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1
• InChI: InChI=1S/C25H26FN5O/c1-17-6-7-18-14-21(26)8-10-23(18)31(17)25(32)20-5-3-13-30(16-20)24-11-9-22(28-29-24)19-4-2-12-27-15-19/h2,4,8-12,14-15,17,20H,3,5-7,13,16H2,1H3
• InChIKey: GQWXRGSNTCQCSK-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 62.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.52
LogP ≤ 5	4.26
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-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?

The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone (CID 121071011) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-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-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone?

The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone is CC1CCc2cc(F)ccc2N1C(=O)C1CCCN(c2ccc(-c3cccnc3)nn2)C1.

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

The InChIKey is GQWXRGSNTCQCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O/c1-17-6-7-18-14-21(26)8-10-23(18)31(17)25(32)20-5-3-13-30(16-20)24-11-9-22(28-29-24)19-4-2-12-27-15-19/h2,4,8-12,14-15,17,20H,3,5-7,13,16H2,1H3.

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

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 431.52 g/mol, XLogP of 4.26, 3 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-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 121071011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).