[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate

C28H24N2O5 — CID 58490060

About [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate

[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate (PubChem CID 58490060) has the molecular formula C28H24N2O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate.

Molecular Properties

• Compound Name: [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate
• PubChem CID: 58490060
• Molecular Formula: C28H24N2O5
• Molecular Weight: 468.51 g/mol
• Exact Mass: 468.17
• IUPAC Name: [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate
• SMILES: CCn1c2ccc(C(=O)c3ccccc3C(C)C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
• InChI: InChI=1S/C28H24N2O5/c1-5-30-22-12-10-17(25(32)19-9-7-6-8-18(19)15(2)3)14-21(22)24-23(30)13-11-20-26(33)28(34-27(20)24)29-35-16(4)31/h6-15H,5H2,1-4H3/b29-28-
• InChIKey: OZPIQDXJNGKKFJ-ZIADKAODSA-N
• XLogP: 5.62
• TPSA: 86.96 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.51
LogP ≤ 5	5.62
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 [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate?

The IUPAC name of [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate (CID 58490060) is [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate.

What is the SMILES notation for [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate?

The canonical SMILES for [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate is CCn1c2ccc(C(=O)c3ccccc3C(C)C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3.

What is the InChIKey of [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate?

The InChIKey is OZPIQDXJNGKKFJ-ZIADKAODSA-N. The full InChI is InChI=1S/C28H24N2O5/c1-5-30-22-12-10-17(25(32)19-9-7-6-8-18(19)15(2)3)14-21(22)24-23(30)13-11-20-26(33)28(34-27(20)24)29-35-16(4)31/h6-15H,5H2,1-4H3/b29-28-.

What are the key properties of [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate?

[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate has a molecular weight of 468.51 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate is sourced from PubChem (CID 58490060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).