6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

C24H21N3O3 — CID 24884916

IUPAC6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C24H21N3O3/c1-26(2)10-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-4-3-5-7-14)21-22(20)24(30)25-23(21)29/h3-9,12-13,28H,10-11H2,1-2H3,(H,25,29,30)
InChIKeyGKROVVTVYGBAEB-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.61
Rot. Bonds4

About 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 24884916) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID24884916
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C24H21N3O3/c1-26(2)10-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-4-3-5-7-14)21-22(20)24(30)25-23(21)29/h3-9,12-13,28H,10-11H2,1-2H3,(H,25,29,30)
InChIKeyGKROVVTVYGBAEB-UHFFFAOYSA-N
XLogP3.61
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
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 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 24884916) is 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O.
What is the InChIKey of 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is GKROVVTVYGBAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-26(2)10-11-27-18-9-8-15(28)12-17(18)20-19(27)13-16(14-6-4-3-5-7-14)21-22(20)24(30)25-23(21)29/h3-9,12-13,28H,10-11H2,1-2H3,(H,25,29,30).
What are the key properties of 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 399.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 24884916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).