3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid

C25H16N2O2 — CID 131955107

IUPAC3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccc3ncccc3c2)cc(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29)
InChIKeyOROXLWZECIFWHN-UHFFFAOYSA-N
MW376.42 g/mol
LogP5.82
Rot. Bonds3

About 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid

3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid (PubChem CID 131955107) has the molecular formula C25H16N2O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid.

Molecular Properties

Compound Name3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid
PubChem CID131955107
Molecular FormulaC25H16N2O2
Molecular Weight376.42 g/mol
Exact Mass376.12
IUPAC Name3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid
SMILESO=C(O)c1cc(-c2ccc3ncccc3c2)cc(-c2ccc3cccnc3c2)c1
InChIInChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29)
InChIKeyOROXLWZECIFWHN-UHFFFAOYSA-N
XLogP5.82
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.42
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid?
The IUPAC name of 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid (CID 131955107) is 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid.
What is the SMILES notation for 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid?
The canonical SMILES for 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid is O=C(O)c1cc(-c2ccc3ncccc3c2)cc(-c2ccc3cccnc3c2)c1.
What is the InChIKey of 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid?
The InChIKey is OROXLWZECIFWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29).
What are the key properties of 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid?
3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid has a molecular weight of 376.42 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-6-yl-5-quinolin-7-ylbenzoic acid is sourced from PubChem (CID 131955107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).