(2-benzamidophenyl) quinoline-6-carboxylate

C23H16N2O3 — CID 90866941

IUPAC(2-benzamidophenyl) quinoline-6-carboxylate
SMILESO=C(Nc1ccccc1OC(=O)c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-22(16-7-2-1-3-8-16)25-20-10-4-5-11-21(20)28-23(27)18-12-13-19-17(15-18)9-6-14-24-19/h1-15H,(H,25,26)
InChIKeyVTQBVRIFEUVXCP-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.71
Rot. Bonds4

About (2-benzamidophenyl) quinoline-6-carboxylate

(2-benzamidophenyl) quinoline-6-carboxylate (PubChem CID 90866941) has the molecular formula C23H16N2O3 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2-benzamidophenyl) quinoline-6-carboxylate.

Molecular Properties

Compound Name(2-benzamidophenyl) quinoline-6-carboxylate
PubChem CID90866941
Molecular FormulaC23H16N2O3
Molecular Weight368.39 g/mol
Exact Mass368.12
IUPAC Name(2-benzamidophenyl) quinoline-6-carboxylate
SMILESO=C(Nc1ccccc1OC(=O)c1ccc2ncccc2c1)c1ccccc1
InChIInChI=1S/C23H16N2O3/c26-22(16-7-2-1-3-8-16)25-20-10-4-5-11-21(20)28-23(27)18-12-13-19-17(15-18)9-6-14-24-19/h1-15H,(H,25,26)
InChIKeyVTQBVRIFEUVXCP-UHFFFAOYSA-N
XLogP4.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-benzamidophenyl) quinoline-6-carboxylate?
The IUPAC name of (2-benzamidophenyl) quinoline-6-carboxylate (CID 90866941) is (2-benzamidophenyl) quinoline-6-carboxylate.
What is the SMILES notation for (2-benzamidophenyl) quinoline-6-carboxylate?
The canonical SMILES for (2-benzamidophenyl) quinoline-6-carboxylate is O=C(Nc1ccccc1OC(=O)c1ccc2ncccc2c1)c1ccccc1.
What is the InChIKey of (2-benzamidophenyl) quinoline-6-carboxylate?
The InChIKey is VTQBVRIFEUVXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O3/c26-22(16-7-2-1-3-8-16)25-20-10-4-5-11-21(20)28-23(27)18-12-13-19-17(15-18)9-6-14-24-19/h1-15H,(H,25,26).
What are the key properties of (2-benzamidophenyl) quinoline-6-carboxylate?
(2-benzamidophenyl) quinoline-6-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamidophenyl) quinoline-6-carboxylate is sourced from PubChem (CID 90866941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).