2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C20H21N3O4 — CID 6481893

IUPAC2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1cc2[nH]c3ccc4c(c3c2cc1OC)C(=O)N(CCN(C)C)C4=O
InChIInChI=1S/C20H21N3O4/c1-22(2)7-8-23-19(24)11-5-6-13-17(18(11)20(23)25)12-9-15(26-3)16(27-4)10-14(12)21-13/h5-6,9-10,21H,7-8H2,1-4H3
InChIKeyROWVFYOWXMREGE-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.50
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 6481893) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID6481893
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1cc2[nH]c3ccc4c(c3c2cc1OC)C(=O)N(CCN(C)C)C4=O
InChIInChI=1S/C20H21N3O4/c1-22(2)7-8-23-19(24)11-5-6-13-17(18(11)20(23)25)12-9-15(26-3)16(27-4)10-14(12)21-13/h5-6,9-10,21H,7-8H2,1-4H3
InChIKeyROWVFYOWXMREGE-UHFFFAOYSA-N
XLogP2.50
TPSA74.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.50
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 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 6481893) is 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is COc1cc2[nH]c3ccc4c(c3c2cc1OC)C(=O)N(CCN(C)C)C4=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is ROWVFYOWXMREGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-22(2)7-8-23-19(24)11-5-6-13-17(18(11)20(23)25)12-9-15(26-3)16(27-4)10-14(12)21-13/h5-6,9-10,21H,7-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 367.41 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-8,9-dimethoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 6481893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).