4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C21H15N3O4 — CID 11843293

IUPAC4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C21H15N3O4/c1-28-16-6-9(22)2-4-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-5-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27)
InChIKeyMXXIRSAITSWIQL-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.17
Rot. Bonds2

About 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11843293) has the molecular formula C21H15N3O4 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11843293
Molecular FormulaC21H15N3O4
Molecular Weight373.37 g/mol
Exact Mass373.11
IUPAC Name4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C21H15N3O4/c1-28-16-6-9(22)2-4-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-5-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27)
InChIKeyMXXIRSAITSWIQL-UHFFFAOYSA-N
XLogP3.17
TPSA117.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11843293) is 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O.
What is the InChIKey of 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is MXXIRSAITSWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O4/c1-28-16-6-9(22)2-4-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-5-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27).
What are the key properties of 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 373.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methoxyphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11843293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).