2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

C20H22ClN3O4 — CID 19808810

IUPAC2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCCOc1cc2c(c3c1[nH]c1ccc(O)cc13)C(=O)N(CCN(C)C)C2=O.Cl
InChIInChI=1S/C20H21N3O4.ClH/c1-4-27-15-10-13-17(20(26)23(19(13)25)8-7-22(2)3)16-12-9-11(24)5-6-14(12)21-18(15)16;/h5-6,9-10,21,24H,4,7-8H2,1-3H3;1H
InChIKeyDYWBJMFDDUQQAP-UHFFFAOYSA-N
MW403.87 g/mol
LogP3.00
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride

2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (PubChem CID 19808810) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
PubChem CID19808810
Molecular FormulaC20H22ClN3O4
Molecular Weight403.87 g/mol
Exact Mass403.13
IUPAC Name2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
SMILESCCOc1cc2c(c3c1[nH]c1ccc(O)cc13)C(=O)N(CCN(C)C)C2=O.Cl
InChIInChI=1S/C20H21N3O4.ClH/c1-4-27-15-10-13-17(20(26)23(19(13)25)8-7-22(2)3)16-12-9-11(24)5-6-14(12)21-18(15)16;/h5-6,9-10,21,24H,4,7-8H2,1-3H3;1H
InChIKeyDYWBJMFDDUQQAP-UHFFFAOYSA-N
XLogP3.00
TPSA85.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.87
LogP ≤ 53.00
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 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride (CID 19808810) is 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is CCOc1cc2c(c3c1[nH]c1ccc(O)cc13)C(=O)N(CCN(C)C)C2=O.Cl.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
The InChIKey is DYWBJMFDDUQQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.ClH/c1-4-27-15-10-13-17(20(26)23(19(13)25)8-7-22(2)3)16-12-9-11(24)5-6-14(12)21-18(15)16;/h5-6,9-10,21,24H,4,7-8H2,1-3H3;1H.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride?
2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride has a molecular weight of 403.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5-ethoxy-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride is sourced from PubChem (CID 19808810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).