dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium

C23H28N7O+ — CID 7412219

About dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium

dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium (PubChem CID 7412219) has the molecular formula C23H28N7O+ and a molecular weight of 418.53 g/mol. Its IUPAC name is dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium.

Molecular Properties

• Compound Name: dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium
• PubChem CID: 7412219
• Molecular Formula: C23H28N7O+
• Molecular Weight: 418.53 g/mol
• Exact Mass: 418.23
• IUPAC Name: dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium
• SMILES: Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3n3nnnc23)cc1
• InChI: InChI=1S/C23H27N7O/c1-16-5-8-20(9-6-16)24-23(31)29(12-11-28(3)4)15-19-14-18-13-17(2)7-10-21(18)30-22(19)25-26-27-30/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,31)/p+1
• InChIKey: YLKLZJANENHZEA-UHFFFAOYSA-O
• XLogP: 2.07
• TPSA: 79.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.53
LogP ≤ 5	2.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium?

The IUPAC name of dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium (CID 7412219) is dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium.

What is the SMILES notation for dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium?

The canonical SMILES for dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium is Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cc3cc(C)ccc3n3nnnc23)cc1.

What is the InChIKey of dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium?

The InChIKey is YLKLZJANENHZEA-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H27N7O/c1-16-5-8-20(9-6-16)24-23(31)29(12-11-28(3)4)15-19-14-18-13-17(2)7-10-21(18)30-22(19)25-26-27-30/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,31)/p+1.

What are the key properties of dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium?

dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium has a molecular weight of 418.53 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for dimethyl-[2-[(4-methylphenyl)carbamoyl-[(7-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]amino]ethyl]azanium is sourced from PubChem (CID 7412219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).