2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

C20H22ClN3O3 — CID 19808807

IUPAC2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCOc1ccc2c(c1)c1c3c(ccc1n2C)C(=O)N(CCN(C)C)C3=O.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeySKYVNZWHXHHBAZ-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.92
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (PubChem CID 19808807) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
PubChem CID19808807
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCOc1ccc2c(c1)c1c3c(ccc1n2C)C(=O)N(CCN(C)C)C3=O.Cl
InChIInChI=1S/C20H21N3O3.ClH/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3;/h5-8,11H,9-10H2,1-4H3;1H
InChIKeySKYVNZWHXHHBAZ-UHFFFAOYSA-N
XLogP2.92
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.92
H-Bond Donors ≤ 50
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]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (CID 19808807) is 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is COc1ccc2c(c1)c1c3c(ccc1n2C)C(=O)N(CCN(C)C)C3=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The InChIKey is SKYVNZWHXHHBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3.ClH/c1-21(2)9-10-23-19(24)13-6-8-16-17(18(13)20(23)25)14-11-12(26-4)5-7-15(14)22(16)3;/h5-8,11H,9-10H2,1-4H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride has a molecular weight of 387.87 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is sourced from PubChem (CID 19808807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).