N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane

C28H39N5O2 — CID 153388831

About N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane

N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane (PubChem CID 153388831) has the molecular formula C28H39N5O2 and a molecular weight of 477.65 g/mol. Its IUPAC name is N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane.

Molecular Properties

• Compound Name: N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane
• PubChem CID: 153388831
• Molecular Formula: C28H39N5O2
• Molecular Weight: 477.65 g/mol
• Exact Mass: 477.31
• IUPAC Name: N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane
• SMILES: CC.CCC.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CNC=O)c1
• InChI: InChI=1S/C23H25N5O2.C3H8.C2H6/c1-2-3-8-20-27-21-22(17-6-4-5-7-18(17)26-23(21)24)28(20)13-15-9-10-19(30)16(11-15)12-25-14-29;1-3-2;1-2/h4-7,9-11,14,30H,2-3,8,12-13H2,1H3,(H2,24,26)(H,25,29);3H2,1-2H3;1-2H3
• InChIKey: QZOGSPVPXCIEAZ-UHFFFAOYSA-N
• XLogP: 5.95
• TPSA: 106.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.65
LogP ≤ 5	5.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane?

The IUPAC name of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane (CID 153388831) is N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane.

What is the SMILES notation for N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane?

The canonical SMILES for N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane is CC.CCC.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(O)c(CNC=O)c1.

What is the InChIKey of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane?

The InChIKey is QZOGSPVPXCIEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2.C3H8.C2H6/c1-2-3-8-20-27-21-22(17-6-4-5-7-18(17)26-23(21)24)28(20)13-15-9-10-19(30)16(11-15)12-25-14-29;1-3-2;1-2/h4-7,9-11,14,30H,2-3,8,12-13H2,1H3,(H2,24,26)(H,25,29);3H2,1-2H3;1-2H3.

What are the key properties of N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane?

N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane has a molecular weight of 477.65 g/mol, XLogP of 5.95, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane is sourced from PubChem (CID 153388831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).