3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione

C19H15NO3 — CID 71416409

IUPAC3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione
SMILESCCOc1ccc2c3c(n(C)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C19H15NO3/c1-3-23-11-8-9-14-15(10-11)20(2)17-16(14)18(21)12-6-4-5-7-13(12)19(17)22/h4-10H,3H2,1-2H3
InChIKeySMHYJRWVYDBBHG-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.35
Rot. Bonds2

About 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione

3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione (PubChem CID 71416409) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione.

Molecular Properties

Compound Name3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione
PubChem CID71416409
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione
SMILESCCOc1ccc2c3c(n(C)c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C19H15NO3/c1-3-23-11-8-9-14-15(10-11)20(2)17-16(14)18(21)12-6-4-5-7-13(12)19(17)22/h4-10H,3H2,1-2H3
InChIKeySMHYJRWVYDBBHG-UHFFFAOYSA-N
XLogP3.35
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
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 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione?
The IUPAC name of 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione (CID 71416409) is 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione.
What is the SMILES notation for 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione?
The canonical SMILES for 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione is CCOc1ccc2c3c(n(C)c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione?
The InChIKey is SMHYJRWVYDBBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-3-23-11-8-9-14-15(10-11)20(2)17-16(14)18(21)12-6-4-5-7-13(12)19(17)22/h4-10H,3H2,1-2H3.
What are the key properties of 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione?
3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione has a molecular weight of 305.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methylbenzo[b]carbazole-6,11-dione is sourced from PubChem (CID 71416409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).