1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C23H27N5O — CID 72937377

About 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72937377) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

• Compound Name: 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
• PubChem CID: 72937377
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
• SMILES: CCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(C)c3ccccc3n1)CC2
• InChI: InChI=1S/C23H27N5O/c1-3-21(29)28-11-8-19-22(25-15-24-19)23(28)9-12-27(13-10-23)20-14-16(2)17-6-4-5-7-18(17)26-20/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25)
• InChIKey: IRGHOESDDVVIOD-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 65.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The IUPAC name of 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72937377) is 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

What is the SMILES notation for 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The canonical SMILES for 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(c1cc(C)c3ccccc3n1)CC2.

What is the InChIKey of 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

The InChIKey is IRGHOESDDVVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-3-21(29)28-11-8-19-22(25-15-24-19)23(28)9-12-27(13-10-23)20-14-16(2)17-6-4-5-7-18(17)26-20/h4-7,14-15H,3,8-13H2,1-2H3,(H,24,25).

What are the key properties of 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?

1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 389.50 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(4-methylquinolin-2-yl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72937377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).