5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid

C18H14N2O2 — CID 162755099

IUPAC5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid
SMILESCc1c2ccnc(C(=O)O)c2cc2c3ccccc3n(C)c12
InChIInChI=1S/C18H14N2O2/c1-10-11-7-8-19-16(18(21)22)13(11)9-14-12-5-3-4-6-15(12)20(2)17(10)14/h3-9H,1-2H3,(H,21,22)
InChIKeyUZROVAFYJLVIAI-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.89
Rot. Bonds1

About 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid

5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid (PubChem CID 162755099) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid
PubChem CID162755099
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid
SMILESCc1c2ccnc(C(=O)O)c2cc2c3ccccc3n(C)c12
InChIInChI=1S/C18H14N2O2/c1-10-11-7-8-19-16(18(21)22)13(11)9-14-12-5-3-4-6-15(12)20(2)17(10)14/h3-9H,1-2H3,(H,21,22)
InChIKeyUZROVAFYJLVIAI-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid?
The IUPAC name of 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid (CID 162755099) is 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid.
What is the SMILES notation for 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid?
The canonical SMILES for 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid is Cc1c2ccnc(C(=O)O)c2cc2c3ccccc3n(C)c12.
What is the InChIKey of 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid?
The InChIKey is UZROVAFYJLVIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c1-10-11-7-8-19-16(18(21)22)13(11)9-14-12-5-3-4-6-15(12)20(2)17(10)14/h3-9H,1-2H3,(H,21,22).
What are the key properties of 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid?
5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethylpyrido[4,3-b]carbazole-1-carboxylic acid is sourced from PubChem (CID 162755099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).