2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid

C23H16N2O3 — CID 1077882

IUPAC2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H16N2O3/c26-22(25-20-13-5-7-15-8-6-14-24-21(15)20)18-11-3-1-9-16(18)17-10-2-4-12-19(17)23(27)28/h1-14H,(H,25,26)(H,27,28)
InChIKeyFPDKZCQCFRQQMW-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.85
Rot. Bonds4

About 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid

2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid (PubChem CID 1077882) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid
PubChem CID1077882
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C23H16N2O3/c26-22(25-20-13-5-7-15-8-6-14-24-21(15)20)18-11-3-1-9-16(18)17-10-2-4-12-19(17)23(27)28/h1-14H,(H,25,26)(H,27,28)
InChIKeyFPDKZCQCFRQQMW-UHFFFAOYSA-N
XLogP4.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid (CID 1077882) is 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid?
The InChIKey is FPDKZCQCFRQQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-22(25-20-13-5-7-15-8-6-14-24-21(15)20)18-11-3-1-9-16(18)17-10-2-4-12-19(17)23(27)28/h1-14H,(H,25,26)(H,27,28).
What are the key properties of 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid?
2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid has a molecular weight of 368.39 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(quinolin-8-ylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 1077882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).