2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide

C24H18BrN3O4 — CID 135605727

IUPAC2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N/N=C/c3ccc(O)cc3O)c2c1
InChIInChI=1S/C24H18BrN3O4/c1-32-18-8-9-21-19(11-18)20(12-22(27-21)14-2-5-16(25)6-3-14)24(31)28-26-13-15-4-7-17(29)10-23(15)30/h2-13,29-30H,1H3,(H,28,31)/b26-13+
InChIKeyHOUKLPYUDJZZLM-LGJNPRDNSA-N
MW492.33 g/mol
LogP4.85
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide

2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide (PubChem CID 135605727) has the molecular formula C24H18BrN3O4 and a molecular weight of 492.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide
PubChem CID135605727
Molecular FormulaC24H18BrN3O4
Molecular Weight492.33 g/mol
Exact Mass491.05
IUPAC Name2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide
SMILESCOc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N/N=C/c3ccc(O)cc3O)c2c1
InChIInChI=1S/C24H18BrN3O4/c1-32-18-8-9-21-19(11-18)20(12-22(27-21)14-2-5-16(25)6-3-14)24(31)28-26-13-15-4-7-17(29)10-23(15)30/h2-13,29-30H,1H3,(H,28,31)/b26-13+
InChIKeyHOUKLPYUDJZZLM-LGJNPRDNSA-N
XLogP4.85
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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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Related Compounds

2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 135781971
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135549826
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
2-(4-ethylphenyl)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781987
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504170
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 135717252
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 3603749

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide (CID 135605727) is 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide is COc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N/N=C/c3ccc(O)cc3O)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide?
The InChIKey is HOUKLPYUDJZZLM-LGJNPRDNSA-N. The full InChI is InChI=1S/C24H18BrN3O4/c1-32-18-8-9-21-19(11-18)20(12-22(27-21)14-2-5-16(25)6-3-14)24(31)28-26-13-15-4-7-17(29)10-23(15)30/h2-13,29-30H,1H3,(H,28,31)/b26-13+.
What are the key properties of 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide?
2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide has a molecular weight of 492.33 g/mol, XLogP of 4.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide is sourced from PubChem (CID 135605727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).