2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide

C46H34N6O4 — CID 4275596

IUPAC2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)c(NC(=O)c4cc(-c5cccc(OC)c5)nc5ccccc45)c3)c3ccccc3n2)c1
InChIInChI=1S/C46H34N6O4/c1-55-33-16-10-12-29(24-33)42-27-37(35-18-6-8-20-39(35)48-42)45(53)47-32-22-23-41(52-51-31-14-4-3-5-15-31)44(26-32)50-46(54)38-28-43(30-13-11-17-34(25-30)56-2)49-40-21-9-7-19-36(38)40/h3-28H,1-2H3,(H,47,53)(H,50,54)/b52-51+
InChIKeyNLAPOIVZLONBCK-WYYOLBRMSA-N
MW734.82 g/mol
LogP11.05
Rot. Bonds10

About 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide

2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide (PubChem CID 4275596) has the molecular formula C46H34N6O4 and a molecular weight of 734.82 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
PubChem CID4275596
Molecular FormulaC46H34N6O4
Molecular Weight734.82 g/mol
Exact Mass734.26
IUPAC Name2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)c(NC(=O)c4cc(-c5cccc(OC)c5)nc5ccccc45)c3)c3ccccc3n2)c1
InChIInChI=1S/C46H34N6O4/c1-55-33-16-10-12-29(24-33)42-27-37(35-18-6-8-20-39(35)48-42)45(53)47-32-22-23-41(52-51-31-14-4-3-5-15-31)44(26-32)50-46(54)38-28-43(30-13-11-17-34(25-30)56-2)49-40-21-9-7-19-36(38)40/h3-28H,1-2H3,(H,47,53)(H,50,54)/b52-51+
InChIKeyNLAPOIVZLONBCK-WYYOLBRMSA-N
XLogP11.05
TPSA127.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.82
LogP ≤ 511.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]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-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(3-methoxyphenyl)-N-(2-methylphenyl)quinoline-4-carboxamide
CID 1220289
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941
2-(3-methoxyphenyl)-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 4673574
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-(5-acetamido-2-fluorophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 55552057
N-(3,4-dichlorophenyl)-7-methoxy-2-phenylquinoline-4-carboxamide
CID 175308074
2-(3-methoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]quinoline-4-carboxamide
CID 4643852
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide (CID 4275596) is 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)c(NC(=O)c4cc(-c5cccc(OC)c5)nc5ccccc45)c3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide?
The InChIKey is NLAPOIVZLONBCK-WYYOLBRMSA-N. The full InChI is InChI=1S/C46H34N6O4/c1-55-33-16-10-12-29(24-33)42-27-37(35-18-6-8-20-39(35)48-42)45(53)47-32-22-23-41(52-51-31-14-4-3-5-15-31)44(26-32)50-46(54)38-28-43(30-13-11-17-34(25-30)56-2)49-40-21-9-7-19-36(38)40/h3-28H,1-2H3,(H,47,53)(H,50,54)/b52-51+.
What are the key properties of 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide?
2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide has a molecular weight of 734.82 g/mol, XLogP of 11.05, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 4275596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).