3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium

C23H28FN4O2+ — CID 7141135

About 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium

3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium (PubChem CID 7141135) has the molecular formula C23H28FN4O2+ and a molecular weight of 411.50 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium.

Molecular Properties

• Compound Name: 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
• PubChem CID: 7141135
• Molecular Formula: C23H28FN4O2+
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.22
• IUPAC Name: 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
• SMILES: Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1
• InChI: InChI=1S/C23H27FN4O2/c1-16-5-6-17-14-18(22(29)26-21(17)13-16)15-28(12-4-11-27(2)3)23(30)25-20-9-7-19(24)8-10-20/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,25,30)(H,26,29)/p+1
• InChIKey: OBJINHAQXVVVHU-UHFFFAOYSA-O
• XLogP: 2.54
• TPSA: 69.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

The IUPAC name of 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium (CID 7141135) is 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium.

What is the SMILES notation for 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

The canonical SMILES for 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium is Cc1ccc2cc(CN(CCC[NH+](C)C)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1.

What is the InChIKey of 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

The InChIKey is OBJINHAQXVVVHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27FN4O2/c1-16-5-6-17-14-18(22(29)26-21(17)13-16)15-28(12-4-11-27(2)3)23(30)25-20-9-7-19(24)8-10-20/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,25,30)(H,26,29)/p+1.

What are the key properties of 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium has a molecular weight of 411.50 g/mol, XLogP of 2.54, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-fluorophenyl)carbamoyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7141135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).