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

C33H47N5O2 — CID 153389076

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]propanamide;ethane

N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]propanamide;ethane (PubChem CID 153389076) has the molecular formula C33H47N5O2 and a molecular weight of 545.77 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]propanamide;ethane.

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]propanamide;ethane
• PubChem CID: 153389076
• Molecular Formula: C33H47N5O2
• Molecular Weight: 545.77 g/mol
• Exact Mass: 545.37
• 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]propanamide;ethane
• SMILES: CC.CCCCc1nc2c(N)nc3cc(C(C)(C)C(C)(C)NC(=O)CC)ccc3c2n1Cc1ccc(O)c(C)c1
• InChI: InChI=1S/C31H41N5O2.C2H6/c1-8-10-11-25-34-27-28(36(25)18-20-12-15-24(37)19(3)16-20)22-14-13-21(17-23(22)33-29(27)32)30(4,5)31(6,7)35-26(38)9-2;1-2/h12-17,37H,8-11,18H2,1-7H3,(H2,32,33)(H,35,38);1-2H3
• InChIKey: GSJLXQSKKMUAHF-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 106.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.77
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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]propanamide;ethane?

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]propanamide;ethane (CID 153389076) 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]propanamide;ethane.

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]propanamide;ethane?

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]propanamide;ethane is CC.CCCCc1nc2c(N)nc3cc(C(C)(C)C(C)(C)NC(=O)CC)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]propanamide;ethane?

The InChIKey is GSJLXQSKKMUAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41N5O2.C2H6/c1-8-10-11-25-34-27-28(36(25)18-20-12-15-24(37)19(3)16-20)22-14-13-21(17-23(22)33-29(27)32)30(4,5)31(6,7)35-26(38)9-2;1-2/h12-17,37H,8-11,18H2,1-7H3,(H2,32,33)(H,35,38);1-2H3.

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]propanamide;ethane?

N-[3-[4-amino-2-butyl-1-[(4-hydroxy-3-methylphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]-2,3-dimethylbutan-2-yl]propanamide;ethane has a molecular weight of 545.77 g/mol, XLogP of 7.18, 9 rotatable bonds, 3 hydrogen bond donors, and 6 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]propanamide;ethane is sourced from PubChem (CID 153389076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).