2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

C21H24ClN3O3 — CID 19808771

IUPAC2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCCN(C)CCN1C(=O)c2cc(C)c3[nH]c4ccc(OC)cc4c3c2C1=O.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-5-23(3)8-9-24-20(25)15-10-12(2)19-17(18(15)21(24)26)14-11-13(27-4)6-7-16(14)22-19;/h6-7,10-11,22H,5,8-9H2,1-4H3;1H
InChIKeyGWIIVBLHPOYBKC-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (PubChem CID 19808771) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
PubChem CID19808771
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCCN(C)CCN1C(=O)c2cc(C)c3[nH]c4ccc(OC)cc4c3c2C1=O.Cl
InChIInChI=1S/C21H23N3O3.ClH/c1-5-23(3)8-9-24-20(25)15-10-12(2)19-17(18(15)21(24)26)14-11-13(27-4)6-7-16(14)22-19;/h6-7,10-11,22H,5,8-9H2,1-4H3;1H
InChIKeyGWIIVBLHPOYBKC-UHFFFAOYSA-N
XLogP3.61
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (CID 19808771) is 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is CCN(C)CCN1C(=O)c2cc(C)c3[nH]c4ccc(OC)cc4c3c2C1=O.Cl.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The InChIKey is GWIIVBLHPOYBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c1-5-23(3)8-9-24-20(25)15-10-12(2)19-17(18(15)21(24)26)14-11-13(27-4)6-7-16(14)22-19;/h6-7,10-11,22H,5,8-9H2,1-4H3;1H.
What are the key properties of 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethyl]-9-methoxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is sourced from PubChem (CID 19808771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).