9-benzylpyrido[2,3-b]indole-3-carboxylic acid

C19H14N2O2 — CID 127027465

IUPAC9-benzylpyrido[2,3-b]indole-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C19H14N2O2/c22-19(23)14-10-16-15-8-4-5-9-17(15)21(18(16)20-11-14)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)
InChIKeyQDPBHHXPJALJDG-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.94
Rot. Bonds3

About 9-benzylpyrido[2,3-b]indole-3-carboxylic acid

9-benzylpyrido[2,3-b]indole-3-carboxylic acid (PubChem CID 127027465) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 9-benzylpyrido[2,3-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name9-benzylpyrido[2,3-b]indole-3-carboxylic acid
PubChem CID127027465
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name9-benzylpyrido[2,3-b]indole-3-carboxylic acid
SMILESO=C(O)c1cnc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C19H14N2O2/c22-19(23)14-10-16-15-8-4-5-9-17(15)21(18(16)20-11-14)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23)
InChIKeyQDPBHHXPJALJDG-UHFFFAOYSA-N
XLogP3.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzylpyrido[2,3-b]indole-3-carboxylic acid?
The IUPAC name of 9-benzylpyrido[2,3-b]indole-3-carboxylic acid (CID 127027465) is 9-benzylpyrido[2,3-b]indole-3-carboxylic acid.
What is the SMILES notation for 9-benzylpyrido[2,3-b]indole-3-carboxylic acid?
The canonical SMILES for 9-benzylpyrido[2,3-b]indole-3-carboxylic acid is O=C(O)c1cnc2c(c1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 9-benzylpyrido[2,3-b]indole-3-carboxylic acid?
The InChIKey is QDPBHHXPJALJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-19(23)14-10-16-15-8-4-5-9-17(15)21(18(16)20-11-14)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,22,23).
What are the key properties of 9-benzylpyrido[2,3-b]indole-3-carboxylic acid?
9-benzylpyrido[2,3-b]indole-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzylpyrido[2,3-b]indole-3-carboxylic acid is sourced from PubChem (CID 127027465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).