N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide

C25H20Br2N4O — CID 4659168

IUPACN'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
SMILESCOc1ccc(C=NN/C(=N\c2c(Br)cc(C)cc2Br)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H20Br2N4O/c1-16-13-20(26)24(21(27)14-16)30-25(23-12-9-18-5-3-4-6-22(18)29-23)31-28-15-17-7-10-19(32-2)11-8-17/h3-15H,1-2H3,(H,30,31)
InChIKeyMLCUGACJMVZBPJ-UHFFFAOYSA-N
MW552.27 g/mol
LogP6.78
Rot. Bonds5

About N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide

N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide (PubChem CID 4659168) has the molecular formula C25H20Br2N4O and a molecular weight of 552.27 g/mol. Its IUPAC name is N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
PubChem CID4659168
Molecular FormulaC25H20Br2N4O
Molecular Weight552.27 g/mol
Exact Mass550.00
IUPAC NameN'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
SMILESCOc1ccc(C=NN/C(=N\c2c(Br)cc(C)cc2Br)c2ccc3ccccc3n2)cc1
InChIInChI=1S/C25H20Br2N4O/c1-16-13-20(26)24(21(27)14-16)30-25(23-12-9-18-5-3-4-6-22(18)29-23)31-28-15-17-7-10-19(32-2)11-8-17/h3-15H,1-2H3,(H,30,31)
InChIKeyMLCUGACJMVZBPJ-UHFFFAOYSA-N
XLogP6.78
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.27
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide 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'-(2,6-dibromo-4-methylphenyl)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]quinoline-2-carboximidamide
CID 5231016
N'-(2,6-dibromo-4-methylphenyl)-N-[(2-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 5231010
N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659163
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-hexoxy-3-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659164
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-N'-(2,6-dibromo-4-methylphenyl)quinoline-2-carboximidamide
CID 135602601
N'-(4-methylphenyl)-N-[[4-[[[N-(4-methylphenyl)-C-quinolin-2-ylcarbonimidoyl]hydrazinylidene]methyl]phenyl]methylideneamino]quinoline-2-carboximidamide
CID 4636500
N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 19260403
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120682
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120507
N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
CID 4711094
N'-[[4-[[[(4-methylanilino)-quinolin-2-ylmethylidene]hydrazinylidene]methyl]phenyl]methylideneamino]-N-(4-methylphenyl)quinoline-2-carboximidamide
CID 135521752
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
The IUPAC name of N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide (CID 4659168) is N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide.
What is the SMILES notation for N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
The canonical SMILES for N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide is COc1ccc(C=NN/C(=N\c2c(Br)cc(C)cc2Br)c2ccc3ccccc3n2)cc1.
What is the InChIKey of N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
The InChIKey is MLCUGACJMVZBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Br2N4O/c1-16-13-20(26)24(21(27)14-16)30-25(23-12-9-18-5-3-4-6-22(18)29-23)31-28-15-17-7-10-19(32-2)11-8-17/h3-15H,1-2H3,(H,30,31).
What are the key properties of N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide has a molecular weight of 552.27 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dibromo-4-methylphenyl)-N-[(4-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide is sourced from PubChem (CID 4659168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).