2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide

C37H39N7O5 — CID 67392648

About 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide

2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide (PubChem CID 67392648) has the molecular formula C37H39N7O5 and a molecular weight of 661.76 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide
• PubChem CID: 67392648
• Molecular Formula: C37H39N7O5
• Molecular Weight: 661.76 g/mol
• Exact Mass: 661.30
• IUPAC Name: 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide
• SMILES: COc1ccc(C=Cc2ccc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCN6CCOCC6)n(C)c5)n(C)c4)ccc3n2)cc1
• InChI: InChI=1S/C37H39N7O5/c1-42-24-30(21-33(42)36(46)38-14-15-44-16-18-49-19-17-44)41-37(47)34-22-29(23-43(34)2)40-35(45)27-8-13-32-26(20-27)7-10-28(39-32)9-4-25-5-11-31(48-3)12-6-25/h4-13,20-24H,14-19H2,1-3H3,(H,38,46)(H,40,45)(H,41,47)
• InChIKey: LAANJSAVYUGKNO-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 131.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	661.76
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide?

The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide (CID 67392648) is 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide.

What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide?

The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide is COc1ccc(C=Cc2ccc3cc(C(=O)Nc4cc(C(=O)Nc5cc(C(=O)NCCN6CCOCC6)n(C)c5)n(C)c4)ccc3n2)cc1.

What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide?

The InChIKey is LAANJSAVYUGKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N7O5/c1-42-24-30(21-33(42)36(46)38-14-15-44-16-18-49-19-17-44)41-37(47)34-22-29(23-43(34)2)40-35(45)27-8-13-32-26(20-27)7-10-28(39-32)9-4-25-5-11-31(48-3)12-6-25/h4-13,20-24H,14-19H2,1-3H3,(H,38,46)(H,40,45)(H,41,47).

What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide?

2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide has a molecular weight of 661.76 g/mol, XLogP of 4.66, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methoxyphenyl)ethenyl]-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]quinoline-6-carboxamide is sourced from PubChem (CID 67392648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).