4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione

C26H22ClN3O3 — CID 19860978

IUPAC4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C26H22ClN3O3/c27-19-7-3-1-5-16(19)18-15-21-22(24-23(18)25(31)28-26(24)32)17-6-2-4-8-20(17)30(21)10-9-29-11-13-33-14-12-29/h1-8,15H,9-14H2,(H,28,31,32)
InChIKeyAZVMIQHIWFIKEB-UHFFFAOYSA-N
MW459.93 g/mol
LogP4.33
Rot. Bonds4

About 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione

4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 19860978) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID19860978
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Name4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C26H22ClN3O3/c27-19-7-3-1-5-16(19)18-15-21-22(24-23(18)25(31)28-26(24)32)17-6-2-4-8-20(17)30(21)10-9-29-11-13-33-14-12-29/h1-8,15H,9-14H2,(H,28,31,32)
InChIKeyAZVMIQHIWFIKEB-UHFFFAOYSA-N
XLogP4.33
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione (CID 19860978) is 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is AZVMIQHIWFIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c27-19-7-3-1-5-16(19)18-15-21-22(24-23(18)25(31)28-26(24)32)17-6-2-4-8-20(17)30(21)10-9-29-11-13-33-14-12-29/h1-8,15H,9-14H2,(H,28,31,32).
What are the key properties of 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione?
4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 459.93 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-(2-morpholin-4-ylethyl)pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 19860978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).