3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide

C17H12BrN3O2 — CID 135404087

IUPAC3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c2ncccc12)c1cccc(Br)c1
InChIInChI=1S/C17H12BrN3O2/c18-13-4-1-3-11(9-13)17(23)21-20-10-12-6-7-15(22)16-14(12)5-2-8-19-16/h1-10,22H,(H,21,23)/b20-10+
InChIKeyGKUPVDUJJGVFGI-KEBDBYFISA-N
MW370.21 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide

3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide (PubChem CID 135404087) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide
PubChem CID135404087
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc(O)c2ncccc12)c1cccc(Br)c1
InChIInChI=1S/C17H12BrN3O2/c18-13-4-1-3-11(9-13)17(23)21-20-10-12-6-7-15(22)16-14(12)5-2-8-19-16/h1-10,22H,(H,21,23)/b20-10+
InChIKeyGKUPVDUJJGVFGI-KEBDBYFISA-N
XLogP3.47
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide (CID 135404087) is 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc(O)c2ncccc12)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide?
The InChIKey is GKUPVDUJJGVFGI-KEBDBYFISA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-13-4-1-3-11(9-13)17(23)21-20-10-12-6-7-15(22)16-14(12)5-2-8-19-16/h1-10,22H,(H,21,23)/b20-10+.
What are the key properties of 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide?
3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide has a molecular weight of 370.21 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(E)-(8-hydroxyquinolin-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 135404087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).