2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium

C24H31N4O3+ — CID 7141065

About 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium

2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium (PubChem CID 7141065) has the molecular formula C24H31N4O3+ and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium
• PubChem CID: 7141065
• Molecular Formula: C24H31N4O3+
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.24
• IUPAC Name: 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium
• SMILES: COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1
• InChI: InChI=1S/C24H30N4O3/c1-16-6-7-18-14-19(23(29)26-22(18)17(16)2)15-28(13-12-27(3)4)24(30)25-20-8-10-21(31-5)11-9-20/h6-11,14H,12-13,15H2,1-5H3,(H,25,30)(H,26,29)/p+1
• InChIKey: HNOWSJMQGALHBU-UHFFFAOYSA-O
• XLogP: 2.33
• TPSA: 78.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium?

The IUPAC name of 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium (CID 7141065) is 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium.

What is the SMILES notation for 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium?

The canonical SMILES for 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium is COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1.

What is the InChIKey of 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium?

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

What are the key properties of 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium?

2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium has a molecular weight of 423.54 g/mol, XLogP of 2.33, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)carbamoyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7141065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).