2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide

C24H18BrN3O2 — CID 6009364

IUPAC2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H18BrN3O2/c1-30-19-12-6-16(7-13-19)15-26-28-24(29)21-14-23(17-8-10-18(25)11-9-17)27-22-5-3-2-4-20(21)22/h2-15H,1H3,(H,28,29)/b26-15-
InChIKeyPTMUZOMKSGBTSZ-YSMPRRRNSA-N
MW460.33 g/mol
LogP5.44
Rot. Bonds5

About 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide

2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (PubChem CID 6009364) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
PubChem CID6009364
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1
InChIInChI=1S/C24H18BrN3O2/c1-30-19-12-6-16(7-13-19)15-26-28-24(29)21-14-23(17-8-10-18(25)11-9-17)27-22-5-3-2-4-20(21)22/h2-15H,1H3,(H,28,29)/b26-15-
InChIKeyPTMUZOMKSGBTSZ-YSMPRRRNSA-N
XLogP5.44
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.44
H-Bond Donors ≤ 51
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'}

Analyze 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
2-(4-bromophenyl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-6-methoxyquinoline-4-carboxamide
CID 135605727
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(E)-(4-butoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126049590
2-phenyl-N-[(4-propoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4504169
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
2-phenyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6879530

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide (CID 6009364) is 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is COc1ccc(/C=N\NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
The InChIKey is PTMUZOMKSGBTSZ-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c1-30-19-12-6-16(7-13-19)15-26-28-24(29)21-14-23(17-8-10-18(25)11-9-17)27-22-5-3-2-4-20(21)22/h2-15H,1H3,(H,28,29)/b26-15-.
What are the key properties of 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide?
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide has a molecular weight of 460.33 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6009364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).