3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide

C17H12BrN3O2 — CID 136777396

IUPAC3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc2cccc(O)c2n1)c1cccc(Br)c1
InChIInChI=1S/C17H12BrN3O2/c18-13-5-1-4-12(9-13)17(23)21-19-10-14-8-7-11-3-2-6-15(22)16(11)20-14/h1-10,22H,(H,21,23)/b19-10-
InChIKeyCQSOBGCPJAUUPB-GRSHGNNSSA-N
MW370.21 g/mol
LogP3.47
Rot. Bonds3

About 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide

3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide (PubChem CID 136777396) has the molecular formula C17H12BrN3O2 and a molecular weight of 370.21 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
PubChem CID136777396
Molecular FormulaC17H12BrN3O2
Molecular Weight370.21 g/mol
Exact Mass369.01
IUPAC Name3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccc2cccc(O)c2n1)c1cccc(Br)c1
InChIInChI=1S/C17H12BrN3O2/c18-13-5-1-4-12(9-13)17(23)21-19-10-14-8-7-11-3-2-6-15(22)16(11)20-14/h1-10,22H,(H,21,23)/b19-10-
InChIKeyCQSOBGCPJAUUPB-GRSHGNNSSA-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 135544812
N-[(3-bromophenyl)methylideneamino]-3-hydroxybenzamide
CID 2695972
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
3-bromo-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 681118
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
3-bromo-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 2828054
3-bromo-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 135403168
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 913575

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide (CID 136777396) is 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide is O=C(N/N=C\c1ccc2cccc(O)c2n1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The InChIKey is CQSOBGCPJAUUPB-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H12BrN3O2/c18-13-5-1-4-12(9-13)17(23)21-19-10-14-8-7-11-3-2-6-15(22)16(11)20-14/h1-10,22H,(H,21,23)/b19-10-.
What are the key properties of 3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
3-bromo-N-[(Z)-(8-hydroxyquinolin-2-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-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 136777396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).