N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide

C28H36N6O — CID 162737247

About N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide

N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide (PubChem CID 162737247) has the molecular formula C28H36N6O and a molecular weight of 472.64 g/mol. Its IUPAC name is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide
• PubChem CID: 162737247
• Molecular Formula: C28H36N6O
• Molecular Weight: 472.64 g/mol
• Exact Mass: 472.30
• IUPAC Name: N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide
• SMILES: CCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)Cc1ccc(N(C)C)cc1
• InChI: InChI=1S/C28H36N6O/c1-5-24-32-25-26(22-10-6-7-11-23(22)31-27(25)29)34(24)17-9-8-16-30-28(35)19(2)18-20-12-14-21(15-13-20)33(3)4/h6-7,10-15,19H,5,8-9,16-18H2,1-4H3,(H2,29,31)(H,30,35)
• InChIKey: XZQXJPQRNYJLFW-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.64
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?

The IUPAC name of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide (CID 162737247) is N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide.

What is the SMILES notation for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?

The canonical SMILES for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide is CCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)C(C)Cc1ccc(N(C)C)cc1.

What is the InChIKey of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?

The InChIKey is XZQXJPQRNYJLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N6O/c1-5-24-32-25-26(22-10-6-7-11-23(22)31-27(25)29)34(24)17-9-8-16-30-28(35)19(2)18-20-12-14-21(15-13-20)33(3)4/h6-7,10-15,19H,5,8-9,16-18H2,1-4H3,(H2,29,31)(H,30,35).

What are the key properties of N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide?

N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide has a molecular weight of 472.64 g/mol, XLogP of 4.57, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]-3-[4-(dimethylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 162737247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).