N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide

C23H23N3O — CID 7933716

IUPACN-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NN=C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H23N3O/c1-16-11-13-17(14-12-16)22-15-20(19-9-5-6-10-21(19)24-22)23(27)26-25-18-7-3-2-4-8-18/h5-6,9-15H,2-4,7-8H2,1H3,(H,26,27)
InChIKeyKJPUYWSJCYLVDG-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.26
Rot. Bonds3

About N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide

N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 7933716) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID7933716
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NN=C3CCCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C23H23N3O/c1-16-11-13-17(14-12-16)22-15-20(19-9-5-6-10-21(19)24-22)23(27)26-25-18-7-3-2-4-8-18/h5-6,9-15H,2-4,7-8H2,1H3,(H,26,27)
InChIKeyKJPUYWSJCYLVDG-UHFFFAOYSA-N
XLogP5.26
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-(4-butan-2-ylphenyl)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 4590564
2-[4-[(2R)-butan-2-yl]phenyl]-N-[(1-methylpiperidin-4-ylidene)amino]quinoline-4-carboxamide
CID 40574020
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
2-methyl-N-[(3-oxocyclohexylidene)amino]quinoline-4-carboxamide
CID 5027702
2-methyl-N-[(4-methylcyclohexylidene)amino]quinoline-4-carboxamide
CID 5084896
2-[4-[(2R)-butan-2-yl]phenyl]-N-[[1-(2-phenylethyl)piperidin-4-ylidene]amino]quinoline-4-carboxamide
CID 29057547
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
(2E)-2-[[2-(4-methylphenyl)quinoline-4-carbonyl]hydrazinylidene]pentanedioate
CID 7417343
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 7933716) is N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)NN=C3CCCCC3)c3ccccc3n2)cc1.
What is the InChIKey of N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is KJPUYWSJCYLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-16-11-13-17(14-12-16)22-15-20(19-9-5-6-10-21(19)24-22)23(27)26-25-18-7-3-2-4-8-18/h5-6,9-15H,2-4,7-8H2,1H3,(H,26,27).
What are the key properties of N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 7933716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).