N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide

C54H72N12O4 — CID 162004603

About N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide

N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide (PubChem CID 162004603) has the molecular formula C54H72N12O4 and a molecular weight of 953.25 g/mol. Its IUPAC name is N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide.

Molecular Properties

• Compound Name: N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide
• PubChem CID: 162004603
• Molecular Formula: C54H72N12O4
• Molecular Weight: 953.25 g/mol
• Exact Mass: 952.58
• IUPAC Name: N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide
• SMILES: CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCC(CC)C(N)=O.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NCC(=O)CCC(CC)C(N)=O)cc1
• InChI: InChI=1S/C29H36N6O2.C25H36N6O2/c1-3-5-10-25-34-26-27(23-8-6-7-9-24(23)33-28(26)30)35(25)18-19-11-14-21(15-12-19)32-17-22(36)16-13-20(4-2)29(31)37;1-3-5-12-20-30-22-23(18-10-6-7-11-19(18)29-24(22)26)31(20)16-9-8-15-28-21(32)14-13-17(4-2)25(27)33/h6-9,11-12,14-15,20,32H,3-5,10,13,16-18H2,1-2H3,(H2,30,33)(H2,31,37);6-7,10-11,17H,3-5,8-9,12-16H2,1-2H3,(H2,26,29)(H2,27,33)(H,28,32)
• InChIKey: YSQWXEHIHKXWPE-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 257.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	953.25
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide?

The IUPAC name of N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide (CID 162004603) is N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide.

What is the SMILES notation for N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide?

The canonical SMILES for N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide is CCCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)CCC(CC)C(N)=O.CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(NCC(=O)CCC(CC)C(N)=O)cc1.

What is the InChIKey of N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide?

The InChIKey is YSQWXEHIHKXWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2.C25H36N6O2/c1-3-5-10-25-34-26-27(23-8-6-7-9-24(23)33-28(26)30)35(25)18-19-11-14-21(15-12-19)32-17-22(36)16-13-20(4-2)29(31)37;1-3-5-12-20-30-22-23(18-10-6-7-11-19(18)29-24(22)26)31(20)16-9-8-15-28-21(32)14-13-17(4-2)25(27)33/h6-9,11-12,14-15,20,32H,3-5,10,13,16-18H2,1-2H3,(H2,30,33)(H2,31,37);6-7,10-11,17H,3-5,8-9,12-16H2,1-2H3,(H2,26,29)(H2,27,33)(H,28,32).

What are the key properties of N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide?

N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide has a molecular weight of 953.25 g/mol, XLogP of 8.53, 26 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-2-ethylpentanediamide;6-[4-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]anilino]-2-ethyl-5-oxohexanamide is sourced from PubChem (CID 162004603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).