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

C25H23N3O3 — CID 24885316

IUPAC6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C25H23N3O3/c1-27(2)11-6-12-28-19-10-9-16(29)13-18(19)21-20(28)14-17(15-7-4-3-5-8-15)22-23(21)25(31)26-24(22)30/h3-5,7-10,13-14,29H,6,11-12H2,1-2H3,(H,26,30,31)
InChIKeyPQYWWLYGKICJKM-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.00
Rot. Bonds5

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

6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 24885316) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID24885316
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCN(C)CCCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C25H23N3O3/c1-27(2)11-6-12-28-19-10-9-16(29)13-18(19)21-20(28)14-17(15-7-4-3-5-8-15)22-23(21)25(31)26-24(22)30/h3-5,7-10,13-14,29H,6,11-12H2,1-2H3,(H,26,30,31)
InChIKeyPQYWWLYGKICJKM-UHFFFAOYSA-N
XLogP4.00
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.00
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-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 24885316) is 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is CN(C)CCCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O.
What is the InChIKey of 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is PQYWWLYGKICJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-27(2)11-6-12-28-19-10-9-16(29)13-18(19)21-20(28)14-17(15-7-4-3-5-8-15)22-23(21)25(31)26-24(22)30/h3-5,7-10,13-14,29H,6,11-12H2,1-2H3,(H,26,30,31).
What are the key properties of 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 413.48 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl]-9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 24885316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).