2-(quinoline-2-carbonylamino)benzoic acid

C17H12N2O3 — CID 878043

IUPAC2-(quinoline-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C17H12N2O3/c20-16(19-14-8-4-2-6-12(14)17(21)22)15-10-9-11-5-1-3-7-13(11)18-15/h1-10H,(H,19,20)(H,21,22)
InChIKeyAHPLUEXNVMJWCW-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.19
Rot. Bonds3

About 2-(quinoline-2-carbonylamino)benzoic acid

2-(quinoline-2-carbonylamino)benzoic acid (PubChem CID 878043) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-(quinoline-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(quinoline-2-carbonylamino)benzoic acid
PubChem CID878043
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name2-(quinoline-2-carbonylamino)benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2n1
InChIInChI=1S/C17H12N2O3/c20-16(19-14-8-4-2-6-12(14)17(21)22)15-10-9-11-5-1-3-7-13(11)18-15/h1-10H,(H,19,20)(H,21,22)
InChIKeyAHPLUEXNVMJWCW-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 2-(quinoline-2-carbonylamino)benzoic acid?
The IUPAC name of 2-(quinoline-2-carbonylamino)benzoic acid (CID 878043) is 2-(quinoline-2-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(quinoline-2-carbonylamino)benzoic acid?
The canonical SMILES for 2-(quinoline-2-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc2ccccc2n1.
What is the InChIKey of 2-(quinoline-2-carbonylamino)benzoic acid?
The InChIKey is AHPLUEXNVMJWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16(19-14-8-4-2-6-12(14)17(21)22)15-10-9-11-5-1-3-7-13(11)18-15/h1-10H,(H,19,20)(H,21,22).
What are the key properties of 2-(quinoline-2-carbonylamino)benzoic acid?
2-(quinoline-2-carbonylamino)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 2-(quinoline-2-carbonylamino)benzoic acid is sourced from PubChem (CID 878043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).