[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate

C32H35N3O4 — CID 123404733

About [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate (PubChem CID 123404733) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate.

Molecular Properties

• Compound Name: [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate
• PubChem CID: 123404733
• Molecular Formula: C32H35N3O4
• Molecular Weight: 525.65 g/mol
• Exact Mass: 525.26
• IUPAC Name: [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate
• SMILES: CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(C)=NOC(=O)C(C)(C)N3CCOCC3)ccc21
• InChI: InChI=1S/C32H35N3O4/c1-6-35-28-13-11-23(22(3)33-39-31(37)32(4,5)34-15-17-38-18-16-34)19-26(28)27-20-24(12-14-29(27)35)30(36)25-10-8-7-9-21(25)2/h7-14,19-20H,6,15-18H2,1-5H3
• InChIKey: HWXXDOLQYQJHCP-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 73.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.65
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate?

The IUPAC name of [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate (CID 123404733) is [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate.

What is the SMILES notation for [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate?

The canonical SMILES for [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate is CCn1c2ccc(C(=O)c3ccccc3C)cc2c2cc(C(C)=NOC(=O)C(C)(C)N3CCOCC3)ccc21.

What is the InChIKey of [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate?

The InChIKey is HWXXDOLQYQJHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-6-35-28-13-11-23(22(3)33-39-31(37)32(4,5)34-15-17-38-18-16-34)19-26(28)27-20-24(12-14-29(27)35)30(36)25-10-8-7-9-21(25)2/h7-14,19-20H,6,15-18H2,1-5H3.

What are the key properties of [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate?

[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate has a molecular weight of 525.65 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] 2-methyl-2-morpholin-4-ylpropanoate is sourced from PubChem (CID 123404733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).