N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen

C53H72N14O6S2 — CID 160641308

About N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen

N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen (PubChem CID 160641308) has the molecular formula C53H72N14O6S2 and a molecular weight of 1065.38 g/mol. Its IUPAC name is N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen.

Molecular Properties

• Compound Name: N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen
• PubChem CID: 160641308
• Molecular Formula: C53H72N14O6S2
• Molecular Weight: 1065.38 g/mol
• Exact Mass: 1064.52
• IUPAC Name: N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen
• SMILES: CC(=O)CC(C)(C)Cn1c(C)nc2c(N)nc3ccccc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O.CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O.[H][H]
• InChI: InChI=1S/C18H25N5O3S.C18H22N4O.C17H23N5O2S.H2/c1-5-26-10-14-21-15-16(12-8-6-7-9-13(12)20-17(15)19)23(14)11-18(2,3)22-27(4,24)25;1-11(23)9-18(3,4)10-22-12(2)20-15-16(22)13-7-5-6-8-14(13)21-17(15)19;1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24;/h6-9,22H,5,10-11H2,1-4H3,(H2,19,20);5-8H,9-10H2,1-4H3,(H2,19,21);4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20);1H
• InChIKey: RJFCXUHMBRMAKS-UHFFFAOYSA-N
• XLogP: 7.82
• TPSA: 288.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1065.38
LogP ≤ 5	7.82
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen?

The IUPAC name of N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen (CID 160641308) is N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen.

What is the SMILES notation for N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen?

The canonical SMILES for N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen is CC(=O)CC(C)(C)Cn1c(C)nc2c(N)nc3ccccc3c21.CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)NS(C)(=O)=O.CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O.[H][H].

What is the InChIKey of N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen?

The InChIKey is RJFCXUHMBRMAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S.C18H22N4O.C17H23N5O2S.H2/c1-5-26-10-14-21-15-16(12-8-6-7-9-13(12)20-17(15)19)23(14)11-18(2,3)22-27(4,24)25;1-11(23)9-18(3,4)10-22-12(2)20-15-16(22)13-7-5-6-8-14(13)21-17(15)19;1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24;/h6-9,22H,5,10-11H2,1-4H3,(H2,19,20);5-8H,9-10H2,1-4H3,(H2,19,21);4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20);1H.

What are the key properties of N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen?

N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen has a molecular weight of 1065.38 g/mol, XLogP of 7.82, 18 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]methanesulfonamide;N-[4-(4-amino-2-ethylimidazo[4,5-c]quinolin-1-yl)butyl]methanesulfonamide;5-(4-amino-2-methylimidazo[4,5-c]quinolin-1-yl)-4,4-dimethylpentan-2-one;molecular hydrogen is sourced from PubChem (CID 160641308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).