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

C28H24N2O5 — CID 58490060

IUPAC[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3C(C)C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
InChIInChI=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-
InChIKeyOZPIQDXJNGKKFJ-ZIADKAODSA-N
MW468.51 g/mol
LogP5.62
Rot. Bonds5

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 CID58490060
Molecular FormulaC28H24N2O5
Molecular Weight468.51 g/mol
Exact Mass468.17
IUPAC Name[(Z)-[6-ethyl-3-oxo-9-(2-propan-2-ylbenzoyl)furo[3,2-c]carbazol-2-ylidene]amino] acetate
SMILESCCn1c2ccc(C(=O)c3ccccc3C(C)C)cc2c2c3c(ccc21)C(=O)/C(=N/OC(C)=O)O3
InChIInChI=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-
InChIKeyOZPIQDXJNGKKFJ-ZIADKAODSA-N
XLogP5.62
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.51
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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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).