1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione

C18H13NO4 — CID 118713421

IUPAC1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione
SMILESCOc1ccc(OC)c2c3c([nH]c12)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H13NO4/c1-22-11-7-8-12(23-2)15-13(11)14-16(19-15)18(21)10-6-4-3-5-9(10)17(14)20/h3-8,19H,1-2H3
InChIKeyNBMNTHREBNVTME-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.96
Rot. Bonds2

About 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione

1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione (PubChem CID 118713421) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione
PubChem CID118713421
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione
SMILESCOc1ccc(OC)c2c3c([nH]c12)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H13NO4/c1-22-11-7-8-12(23-2)15-13(11)14-16(19-15)18(21)10-6-4-3-5-9(10)17(14)20/h3-8,19H,1-2H3
InChIKeyNBMNTHREBNVTME-UHFFFAOYSA-N
XLogP2.96
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione?
The IUPAC name of 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione (CID 118713421) is 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione.
What is the SMILES notation for 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione?
The canonical SMILES for 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione is COc1ccc(OC)c2c3c([nH]c12)C(=O)c1ccccc1C3=O.
What is the InChIKey of 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione?
The InChIKey is NBMNTHREBNVTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-22-11-7-8-12(23-2)15-13(11)14-16(19-15)18(21)10-6-4-3-5-9(10)17(14)20/h3-8,19H,1-2H3.
What are the key properties of 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione?
1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione has a molecular weight of 307.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-5H-benzo[b]carbazole-6,11-dione is sourced from PubChem (CID 118713421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).