N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide

C30H30Br2N4O2 — CID 4659163

IUPACN'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide
SMILESCCCCCOc1ccc(C=NN/C(=N\c2c(Br)cc(C)cc2Br)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C30H30Br2N4O2/c1-4-5-8-15-38-27-14-11-21(18-28(27)37-3)19-33-36-30(35-29-23(31)16-20(2)17-24(29)32)26-13-12-22-9-6-7-10-25(22)34-26/h6-7,9-14,16-19H,4-5,8,15H2,1-3H3,(H,35,36)
InChIKeyJOPAMFFXAMZKKQ-UHFFFAOYSA-N
MW638.40 g/mol
LogP8.35
Rot. Bonds10

About N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide

N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide (PubChem CID 4659163) has the molecular formula C30H30Br2N4O2 and a molecular weight of 638.40 g/mol. Its IUPAC name is N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide.

Molecular Properties

Compound NameN'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide
PubChem CID4659163
Molecular FormulaC30H30Br2N4O2
Molecular Weight638.40 g/mol
Exact Mass636.07
IUPAC NameN'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide
SMILESCCCCCOc1ccc(C=NN/C(=N\c2c(Br)cc(C)cc2Br)c2ccc3ccccc3n2)cc1OC
InChIInChI=1S/C30H30Br2N4O2/c1-4-5-8-15-38-27-14-11-21(18-28(27)37-3)19-33-36-30(35-29-23(31)16-20(2)17-24(29)32)26-13-12-22-9-6-7-10-25(22)34-26/h6-7,9-14,16-19H,4-5,8,15H2,1-3H3,(H,35,36)
InChIKeyJOPAMFFXAMZKKQ-UHFFFAOYSA-N
XLogP8.35
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.40
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(3-methoxy-4-pentoxyphenyl)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-hexoxy-3-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 4659164
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120507
N'-(2,6-dibromo-4-methylphenyl)-N-[(2-methoxyphenyl)methylideneamino]quinoline-2-carboximidamide
CID 5231010
N'-(2,6-dibromo-4-methylphenyl)-N-[[4-(3-methylbutoxy)phenyl]methylideneamino]quinoline-2-carboximidamide
CID 5231016
N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 19260403
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide
CID 6307723
N-[(E)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide
CID 6276625
N'-(4-ethoxyphenyl)-N-[(E)-(4-hexoxy-3-methoxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 6307814
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120682
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenyl-1,3-benzothiazole-2-carboximidamide
CID 5229039
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1,3-benzothiazole-2-carboximidamide
CID 6276623
1-[(Z)-(3-methoxy-4-pentoxyphenyl)methylideneamino]-3-methylthiourea
CID 6003195

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
The IUPAC name of N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide (CID 4659163) is N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide.
What is the SMILES notation for N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
The canonical SMILES for N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide is CCCCCOc1ccc(C=NN/C(=N\c2c(Br)cc(C)cc2Br)c2ccc3ccccc3n2)cc1OC.
What is the InChIKey of N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
The InChIKey is JOPAMFFXAMZKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Br2N4O2/c1-4-5-8-15-38-27-14-11-21(18-28(27)37-3)19-33-36-30(35-29-23(31)16-20(2)17-24(29)32)26-13-12-22-9-6-7-10-25(22)34-26/h6-7,9-14,16-19H,4-5,8,15H2,1-3H3,(H,35,36).
What are the key properties of N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide?
N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide has a molecular weight of 638.40 g/mol, XLogP of 8.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dibromo-4-methylphenyl)-N-[(3-methoxy-4-pentoxyphenyl)methylideneamino]quinoline-2-carboximidamide is sourced from PubChem (CID 4659163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).