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

C23H25FN6O — CID 90514774

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

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 90514774) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
• PubChem CID: 90514774
• Molecular Formula: C23H25FN6O
• Molecular Weight: 420.49 g/mol
• Exact Mass: 420.21
• IUPAC Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone
• SMILES: CC1CCc2cc(F)ccc2N1C(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
• InChI: InChI=1S/C23H25FN6O/c1-16-4-5-17-13-19(24)6-7-20(17)30(16)23(31)18-3-2-11-28(14-18)21-8-9-22(27-26-21)29-12-10-25-15-29/h6-10,12-13,15-16,18H,2-5,11,14H2,1H3
• InChIKey: UAARWNZXNYKOHU-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 67.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.49
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone (CID 90514774) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-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-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone?

The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone is CC1CCc2cc(F)ccc2N1C(=O)C1CCCN(c2ccc(-n3ccnc3)nn2)C1.

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

The InChIKey is UAARWNZXNYKOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-16-4-5-17-13-19(24)6-7-20(17)30(16)23(31)18-3-2-11-28(14-18)21-8-9-22(27-26-21)29-12-10-25-15-29/h6-10,12-13,15-16,18H,2-5,11,14H2,1H3.

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

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(6-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 420.49 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-imidazol-1-ylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 90514774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).