4-(quinolin-8-ylcarbamoyl)benzoic acid

C17H12N2O3 — CID 16759558

IUPAC4-(quinolin-8-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C17H12N2O3/c20-16(12-6-8-13(9-7-12)17(21)22)19-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H,(H,19,20)(H,21,22)
InChIKeyYXYLODXJAFKCSR-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.19
Rot. Bonds3

About 4-(quinolin-8-ylcarbamoyl)benzoic acid

4-(quinolin-8-ylcarbamoyl)benzoic acid (PubChem CID 16759558) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(quinolin-8-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name4-(quinolin-8-ylcarbamoyl)benzoic acid
PubChem CID16759558
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-(quinolin-8-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C17H12N2O3/c20-16(12-6-8-13(9-7-12)17(21)22)19-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H,(H,19,20)(H,21,22)
InChIKeyYXYLODXJAFKCSR-UHFFFAOYSA-N
XLogP3.19
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-ylcarbamoyl)benzoic acid?
The IUPAC name of 4-(quinolin-8-ylcarbamoyl)benzoic acid (CID 16759558) is 4-(quinolin-8-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 4-(quinolin-8-ylcarbamoyl)benzoic acid?
The canonical SMILES for 4-(quinolin-8-ylcarbamoyl)benzoic acid is O=C(O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(quinolin-8-ylcarbamoyl)benzoic acid?
The InChIKey is YXYLODXJAFKCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16(12-6-8-13(9-7-12)17(21)22)19-14-5-1-3-11-4-2-10-18-15(11)14/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 4-(quinolin-8-ylcarbamoyl)benzoic acid?
4-(quinolin-8-ylcarbamoyl)benzoic acid has a molecular weight of 292.29 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 16759558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).