8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione

C17H12N2O2 — CID 155200944

IUPAC8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione
SMILESCc1cc2[nH]c3c(c2cc1C)C(=O)c1cnccc1C3=O
InChIInChI=1S/C17H12N2O2/c1-8-5-11-13(6-9(8)2)19-15-14(11)16(20)12-7-18-4-3-10(12)17(15)21/h3-7,19H,1-2H3
InChIKeyHEIFYWLQMRSQEV-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.96
Rot. Bonds

About 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione

8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione (PubChem CID 155200944) has the molecular formula C17H12N2O2 and a molecular weight of 276.29 g/mol. Its IUPAC name is 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione.

Molecular Properties

Compound Name8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione
PubChem CID155200944
Molecular FormulaC17H12N2O2
Molecular Weight276.29 g/mol
Exact Mass276.09
IUPAC Name8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione
SMILESCc1cc2[nH]c3c(c2cc1C)C(=O)c1cnccc1C3=O
InChIInChI=1S/C17H12N2O2/c1-8-5-11-13(6-9(8)2)19-15-14(11)16(20)12-7-18-4-3-10(12)17(15)21/h3-7,19H,1-2H3
InChIKeyHEIFYWLQMRSQEV-UHFFFAOYSA-N
XLogP2.96
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione?
The IUPAC name of 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione (CID 155200944) is 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione.
What is the SMILES notation for 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione?
The canonical SMILES for 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione is Cc1cc2[nH]c3c(c2cc1C)C(=O)c1cnccc1C3=O.
What is the InChIKey of 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione?
The InChIKey is HEIFYWLQMRSQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c1-8-5-11-13(6-9(8)2)19-15-14(11)16(20)12-7-18-4-3-10(12)17(15)21/h3-7,19H,1-2H3.
What are the key properties of 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione?
8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione has a molecular weight of 276.29 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-6H-pyrido[4,3-b]carbazole-5,11-dione is sourced from PubChem (CID 155200944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).