2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide

C29H22N4O — CID 4657048

IUPAC2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3ccccc3n2)c1
InChIInChI=1S/C29H22N4O/c1-20-8-7-9-21(18-20)28-19-26(25-12-5-6-13-27(25)31-28)29(34)30-22-14-16-24(17-15-22)33-32-23-10-3-2-4-11-23/h2-19H,1H3,(H,30,34)/b33-32+
InChIKeyVNWLXYWTMWSXSQ-ULIFNZDWSA-N
MW442.52 g/mol
LogP7.88
Rot. Bonds5

About 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide

2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide (PubChem CID 4657048) has the molecular formula C29H22N4O and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
PubChem CID4657048
Molecular FormulaC29H22N4O
Molecular Weight442.52 g/mol
Exact Mass442.18
IUPAC Name2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3ccccc3n2)c1
InChIInChI=1S/C29H22N4O/c1-20-8-7-9-21(18-20)28-19-26(25-12-5-6-13-27(25)31-28)29(34)30-22-14-16-24(17-15-22)33-32-23-10-3-2-4-11-23/h2-19H,1H3,(H,30,34)/b33-32+
InChIKeyVNWLXYWTMWSXSQ-ULIFNZDWSA-N
XLogP7.88
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 57.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3-methoxyphenyl)-N-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]-4-phenyldiazenylphenyl]quinoline-4-carboxamide
CID 4275596
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide (CID 4657048) is 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc(/N=N/c4ccccc4)cc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide?
The InChIKey is VNWLXYWTMWSXSQ-ULIFNZDWSA-N. The full InChI is InChI=1S/C29H22N4O/c1-20-8-7-9-21(18-20)28-19-26(25-12-5-6-13-27(25)31-28)29(34)30-22-14-16-24(17-15-22)33-32-23-10-3-2-4-11-23/h2-19H,1H3,(H,30,34)/b33-32+.
What are the key properties of 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide?
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 7.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4657048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).