2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium

C24H31N4O2+ — CID 7141091

About 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium

2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium (PubChem CID 7141091) has the molecular formula C24H31N4O2+ and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium.

Molecular Properties

• Compound Name: 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
• PubChem CID: 7141091
• Molecular Formula: C24H31N4O2+
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.24
• IUPAC Name: 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium
• SMILES: Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)NCc3ccccc3)cc12
• InChI: InChI=1S/C24H30N4O2/c1-17-10-11-18(2)22-21(17)14-20(23(29)26-22)16-28(13-12-27(3)4)24(30)25-15-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3,(H,25,30)(H,26,29)/p+1
• InChIKey: YDUZIDUSEWZMSX-UHFFFAOYSA-O
• XLogP: 2.00
• 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	407.54
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?

The IUPAC name of 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium (CID 7141091) is 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium.

What is the SMILES notation for 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?

The canonical SMILES for 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium is Cc1ccc(C)c2[nH]c(=O)c(CN(CC[NH+](C)C)C(=O)NCc3ccccc3)cc12.

What is the InChIKey of 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?

The InChIKey is YDUZIDUSEWZMSX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H30N4O2/c1-17-10-11-18(2)22-21(17)14-20(23(29)26-22)16-28(13-12-27(3)4)24(30)25-15-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3,(H,25,30)(H,26,29)/p+1.

What are the key properties of 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium?

2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium has a molecular weight of 407.54 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzylcarbamoyl-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]ethyl-dimethylazanium is sourced from PubChem (CID 7141091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).