2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline

C24H29FN4 — CID 142546045

About 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline

2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline (PubChem CID 142546045) has the molecular formula C24H29FN4 and a molecular weight of 392.52 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline.

Molecular Properties

• Compound Name: 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline
• PubChem CID: 142546045
• Molecular Formula: C24H29FN4
• Molecular Weight: 392.52 g/mol
• Exact Mass: 392.24
• IUPAC Name: 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline
• SMILES: CC1CCc2c(ccc3c2nc(Cc2cccc(F)c2)n3C2CCNCC2)N1C
• InChI: InChI=1S/C24H29FN4/c1-16-6-7-20-21(28(16)2)8-9-22-24(20)27-23(15-17-4-3-5-18(25)14-17)29(22)19-10-12-26-13-11-19/h3-5,8-9,14,16,19,26H,6-7,10-13,15H2,1-2H3
• InChIKey: PMSBDBIQQDBCNS-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 33.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.52
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline?

The IUPAC name of 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline (CID 142546045) is 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline.

What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline?

The canonical SMILES for 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline is CC1CCc2c(ccc3c2nc(Cc2cccc(F)c2)n3C2CCNCC2)N1C.

What is the InChIKey of 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline?

The InChIKey is PMSBDBIQQDBCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4/c1-16-6-7-20-21(28(16)2)8-9-22-24(20)27-23(15-17-4-3-5-18(25)14-17)29(22)19-10-12-26-13-11-19/h3-5,8-9,14,16,19,26H,6-7,10-13,15H2,1-2H3.

What are the key properties of 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline?

2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline has a molecular weight of 392.52 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline is sourced from PubChem (CID 142546045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).