N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate

C38H50N6O6 — CID 153389087

About N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate

N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate (PubChem CID 153389087) has the molecular formula C38H50N6O6 and a molecular weight of 686.85 g/mol. Its IUPAC name is N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate.

Molecular Properties

• Compound Name: N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate
• PubChem CID: 153389087
• Molecular Formula: C38H50N6O6
• Molecular Weight: 686.85 g/mol
• Exact Mass: 686.38
• IUPAC Name: N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate
• SMILES: CCCCC(=O)ON1C(=O)CCC1=O.CCCCc1nc2c(N)nc3cc(C(C)(C)C(C)(C)NC=O)ccc3c2n1Cc1ccc(O)c(C)c1
• InChI: InChI=1S/C29H37N5O2.C9H13NO4/c1-7-8-9-24-33-25-26(34(24)16-19-10-13-23(36)18(2)14-19)21-12-11-20(15-22(21)32-27(25)30)28(3,4)29(5,6)31-17-35;1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h10-15,17,36H,7-9,16H2,1-6H3,(H2,30,32)(H,31,35);2-6H2,1H3
• InChIKey: BXWKUXYHCWVBBN-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 169.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.85
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate?

The IUPAC name of N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate (CID 153389087) is N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate.

What is the SMILES notation for N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate?

The canonical SMILES for N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate is CCCCC(=O)ON1C(=O)CCC1=O.CCCCc1nc2c(N)nc3cc(C(C)(C)C(C)(C)NC=O)ccc3c2n1Cc1ccc(O)c(C)c1.

What is the InChIKey of N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate?

The InChIKey is BXWKUXYHCWVBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2.C9H13NO4/c1-7-8-9-24-33-25-26(34(24)16-19-10-13-23(36)18(2)14-19)21-12-11-20(15-22(21)32-27(25)30)28(3,4)29(5,6)31-17-35;1-2-3-4-9(13)14-10-7(11)5-6-8(10)12/h10-15,17,36H,7-9,16H2,1-6H3,(H2,30,32)(H,31,35);2-6H2,1H3.

What are the key properties of N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate?

N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate has a molecular weight of 686.85 g/mol, XLogP of 6.16, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]formamide;(2,5-dioxopyrrolidin-1-yl) pentanoate is sourced from PubChem (CID 153389087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).