4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane

C26H41N5O3 — CID 144759222

About 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane (PubChem CID 144759222) has the molecular formula C26H41N5O3 and a molecular weight of 471.65 g/mol. Its IUPAC name is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane.

Molecular Properties

• Compound Name: 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane
• PubChem CID: 144759222
• Molecular Formula: C26H41N5O3
• Molecular Weight: 471.65 g/mol
• Exact Mass: 471.32
• IUPAC Name: 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane
• SMILES: CCCC(C)(C)C.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(N)=O
• InChI: InChI=1S/C19H25N5O3.C7H16/c1-2-3-10-15-23-16-17(13-8-4-5-9-14(13)22-18(16)20)24(15)27-12-7-6-11-26-19(21)25;1-5-6-7(2,3)4/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,20,22)(H2,21,25);5-6H2,1-4H3
• InChIKey: GKLMKEQZANANER-UHFFFAOYSA-N
• XLogP: 5.65
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.65
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane?

The IUPAC name of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane (CID 144759222) is 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane.

What is the SMILES notation for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane?

The canonical SMILES for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane is CCCC(C)(C)C.CCCCc1nc2c(N)nc3ccccc3c2n1OCCCCOC(N)=O.

What is the InChIKey of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane?

The InChIKey is GKLMKEQZANANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3.C7H16/c1-2-3-10-15-23-16-17(13-8-4-5-9-14(13)22-18(16)20)24(15)27-12-7-6-11-26-19(21)25;1-5-6-7(2,3)4/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H2,20,22)(H2,21,25);5-6H2,1-4H3.

What are the key properties of 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane?

4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane has a molecular weight of 471.65 g/mol, XLogP of 5.65, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl carbamate;2,2-dimethylpentane is sourced from PubChem (CID 144759222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).