2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione

C20H21N3O2 — CID 6481887

IUPAC2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1cc2c(c3c4ccccc4n(C)c13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C20H21N3O2/c1-12-11-14-17(20(25)23(19(14)24)10-9-21(2)3)16-13-7-5-6-8-15(13)22(4)18(12)16/h5-8,11H,9-10H2,1-4H3
InChIKeyJNABNUWRDZGZMP-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.80
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione

2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 6481887) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID6481887
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1cc2c(c3c4ccccc4n(C)c13)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C20H21N3O2/c1-12-11-14-17(20(25)23(19(14)24)10-9-21(2)3)16-13-7-5-6-8-15(13)22(4)18(12)16/h5-8,11H,9-10H2,1-4H3
InChIKeyJNABNUWRDZGZMP-UHFFFAOYSA-N
XLogP2.80
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione (CID 6481887) is 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione is Cc1cc2c(c3c4ccccc4n(C)c13)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is JNABNUWRDZGZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-11-14-17(20(25)23(19(14)24)10-9-21(2)3)16-13-7-5-6-8-15(13)22(4)18(12)16/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione?
2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 335.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,6-dimethylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 6481887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).