3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide

C17H11BrClN3O2 — CID 137172026

IUPAC3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cl)c2cccnc2c1O)c1cccc(Br)c1
InChIInChI=1S/C17H11BrClN3O2/c18-12-4-1-3-10(7-12)17(24)22-21-9-11-8-14(19)13-5-2-6-20-15(13)16(11)23/h1-9,23H,(H,22,24)/b21-9-
InChIKeyPAGPMRHSMMLAQC-NKVSQWTQSA-N
MW404.65 g/mol
LogP4.12
Rot. Bonds3

About 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide

3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide (PubChem CID 137172026) has the molecular formula C17H11BrClN3O2 and a molecular weight of 404.65 g/mol. Its IUPAC name is 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide
PubChem CID137172026
Molecular FormulaC17H11BrClN3O2
Molecular Weight404.65 g/mol
Exact Mass402.97
IUPAC Name3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1cc(Cl)c2cccnc2c1O)c1cccc(Br)c1
InChIInChI=1S/C17H11BrClN3O2/c18-12-4-1-3-10(7-12)17(24)22-21-9-11-8-14(19)13-5-2-6-20-15(13)16(11)23/h1-9,23H,(H,22,24)/b21-9-
InChIKeyPAGPMRHSMMLAQC-NKVSQWTQSA-N
XLogP4.12
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]benzamide
CID 137172039
3-bromo-N-[(2,6-dichlorophenyl)methylideneamino]benzamide
CID 1103001
N-[(Z)-(8-hydroxy-5-nitroquinolin-7-yl)methylideneamino]-3-nitrobenzamide
CID 137172037
3-bromo-N-[(2-bromo-5-hydroxyphenyl)methylideneamino]benzamide
CID 71951581
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
N-[(E)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135437640
N-[(Z)-[5-benzyl-3-[(E)-[(3-bromobenzoyl)hydrazinylidene]methyl]-2-hydroxyphenyl]methylideneamino]-3-bromobenzamide
CID 135680192
3-bromo-N-[(E)-(2,3-dichloro-5-ethoxy-6-hydroxyphenyl)methylideneamino]benzamide
CID 135590040
3-bromo-N-[(2-iodophenyl)methylideneamino]benzamide
CID 3586825
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
3-bromo-N-[(E)-(10-methylanthracen-9-yl)methylideneamino]benzamide
CID 126005055
3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 136777396

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide?
The IUPAC name of 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide (CID 137172026) is 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide?
The canonical SMILES for 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide is O=C(N/N=C\c1cc(Cl)c2cccnc2c1O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide?
The InChIKey is PAGPMRHSMMLAQC-NKVSQWTQSA-N. The full InChI is InChI=1S/C17H11BrClN3O2/c18-12-4-1-3-10(7-12)17(24)22-21-9-11-8-14(19)13-5-2-6-20-15(13)16(11)23/h1-9,23H,(H,22,24)/b21-9-.
What are the key properties of 3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide?
3-bromo-N-[(Z)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide has a molecular weight of 404.65 g/mol, XLogP of 4.12, 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)-(5-chloro-8-hydroxyquinolin-7-yl)methylideneamino]benzamide is sourced from PubChem (CID 137172026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).