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

C21H14N2O4 — CID 10043931

IUPAC9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C21H14N2O4/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)
InChIKeyMQLOIQSPLNLYGY-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.59
Rot. Bonds2

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

9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10043931) has the molecular formula C21H14N2O4 and a molecular weight of 358.35 g/mol. Its IUPAC name is 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10043931
Molecular FormulaC21H14N2O4
Molecular Weight358.35 g/mol
Exact Mass358.10
IUPAC Name9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C21H14N2O4/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)
InChIKeyMQLOIQSPLNLYGY-UHFFFAOYSA-N
XLogP3.59
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.59
H-Bond Donors ≤ 53
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 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 10043931) is 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is COc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O.
What is the InChIKey of 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is MQLOIQSPLNLYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O4/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26).
What are the key properties of 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 358.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-(2-methoxyphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10043931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).