dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium

C23H29N4O2+ — CID 7141150

About dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium

dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium (PubChem CID 7141150) has the molecular formula C23H29N4O2+ and a molecular weight of 393.51 g/mol. Its IUPAC name is dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium.

Molecular Properties

• Compound Name: dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium
• PubChem CID: 7141150
• Molecular Formula: C23H29N4O2+
• Molecular Weight: 393.51 g/mol
• Exact Mass: 393.23
• IUPAC Name: dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium
• SMILES: Cc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1
• InChI: InChI=1S/C23H28N4O2/c1-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-7-12-26(2)3)23(29)24-20-8-5-4-6-9-20/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)/p+1
• InChIKey: HYQJPAOOYRPILU-UHFFFAOYSA-O
• XLogP: 2.41
• TPSA: 69.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.51
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium?

The IUPAC name of dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium (CID 7141150) is dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium.

What is the SMILES notation for dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium?

The canonical SMILES for dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium is Cc1ccc2[nH]c(=O)c(CN(CCC[NH+](C)C)C(=O)Nc3ccccc3)cc2c1.

What is the InChIKey of dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium?

The InChIKey is HYQJPAOOYRPILU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N4O2/c1-17-10-11-21-18(14-17)15-19(22(28)25-21)16-27(13-7-12-26(2)3)23(29)24-20-8-5-4-6-9-20/h4-6,8-11,14-15H,7,12-13,16H2,1-3H3,(H,24,29)(H,25,28)/p+1.

What are the key properties of dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium?

dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium has a molecular weight of 393.51 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylcarbamoyl)amino]propyl]azanium is sourced from PubChem (CID 7141150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).