3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium

C24H31N4O3+ — CID 7141157

About 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium

3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium (PubChem CID 7141157) has the molecular formula C24H31N4O3+ and a molecular weight of 423.54 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium.

Molecular Properties

• Compound Name: 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
• PubChem CID: 7141157
• Molecular Formula: C24H31N4O3+
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.24
• IUPAC Name: 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium
• SMILES: COc1ccc(NC(=O)N(CCC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1
• InChI: InChI=1S/C24H30N4O3/c1-17-6-11-22-18(14-17)15-19(23(29)26-22)16-28(13-5-12-27(2)3)24(30)25-20-7-9-21(31-4)10-8-20/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,25,30)(H,26,29)/p+1
• InChIKey: UCCQYNLNCMQMTK-UHFFFAOYSA-O
• XLogP: 2.41
• TPSA: 78.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

The IUPAC name of 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium (CID 7141157) is 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium.

What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

The canonical SMILES for 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium is COc1ccc(NC(=O)N(CCC[NH+](C)C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1.

What is the InChIKey of 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

The InChIKey is UCCQYNLNCMQMTK-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N4O3/c1-17-6-11-22-18(14-17)15-19(23(29)26-22)16-28(13-5-12-27(2)3)24(30)25-20-7-9-21(31-4)10-8-20/h6-11,14-15H,5,12-13,16H2,1-4H3,(H,25,30)(H,26,29)/p+1.

What are the key properties of 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium?

3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium has a molecular weight of 423.54 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-methoxyphenyl)carbamoyl-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]propyl-dimethylazanium is sourced from PubChem (CID 7141157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).