2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide

C36H37N5O5 — CID 66675066

About 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide

2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 66675066) has the molecular formula C36H37N5O5 and a molecular weight of 619.72 g/mol. Its IUPAC name is 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
• PubChem CID: 66675066
• Molecular Formula: C36H37N5O5
• Molecular Weight: 619.72 g/mol
• Exact Mass: 619.28
• IUPAC Name: 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3[nH]c(C)c(C(=O)NCCN4CCOCC4)c3C)c2)c1
• InChI: InChI=1S/C36H37N5O5/c1-22-6-4-7-25(18-22)34(42)39-26-8-5-9-27(19-26)46-28-10-11-29-30(35(43)40-32(29)20-28)21-31-23(2)33(24(3)38-31)36(44)37-12-13-41-14-16-45-17-15-41/h4-11,18-21,38H,12-17H2,1-3H3,(H,37,44)(H,39,42)(H,40,43)
• InChIKey: UVJDBLSIRMGJBD-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 124.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.72
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

The IUPAC name of 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide (CID 66675066) is 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

The canonical SMILES for 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide is Cc1cccc(C(=O)Nc2cccc(Oc3ccc4c(c3)NC(=O)C4=Cc3[nH]c(C)c(C(=O)NCCN4CCOCC4)c3C)c2)c1.

What is the InChIKey of 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

The InChIKey is UVJDBLSIRMGJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N5O5/c1-22-6-4-7-25(18-22)34(42)39-26-8-5-9-27(19-26)46-28-10-11-29-30(35(43)40-32(29)20-28)21-31-23(2)33(24(3)38-31)36(44)37-12-13-41-14-16-45-17-15-41/h4-11,18-21,38H,12-17H2,1-3H3,(H,37,44)(H,39,42)(H,40,43).

What are the key properties of 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide?

2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 619.72 g/mol, XLogP of 5.54, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 66675066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).