2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide

C32H24N4O — CID 24777127

IUPAC2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc12
InChIInChI=1S/C32H24N4O/c37-32(33-20-22-10-2-1-3-11-22)28-19-31(35-30-17-9-8-16-27(28)30)36-34-21-29-25-14-6-4-12-23(25)18-24-13-5-7-15-26(24)29/h1-19,21H,20H2,(H,33,37)(H,35,36)/b34-21+
InChIKeyXQTPEYJBJOUEHZ-KEIPNQJHSA-N
MW480.57 g/mol
LogP6.92
Rot. Bonds6

About 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide

2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide (PubChem CID 24777127) has the molecular formula C32H24N4O and a molecular weight of 480.57 g/mol. Its IUPAC name is 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
PubChem CID24777127
Molecular FormulaC32H24N4O
Molecular Weight480.57 g/mol
Exact Mass480.20
IUPAC Name2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(N/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc12
InChIInChI=1S/C32H24N4O/c37-32(33-20-22-10-2-1-3-11-22)28-19-31(35-30-17-9-8-16-27(28)30)36-34-21-29-25-14-6-4-12-23(25)18-24-13-5-7-15-26(24)29/h1-19,21H,20H2,(H,33,37)(H,35,36)/b34-21+
InChIKeyXQTPEYJBJOUEHZ-KEIPNQJHSA-N
XLogP6.92
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776658
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776657
2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
CID 24776773
N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide
CID 24776772
2-amino-N-benzylquinoline-3-carboxamide
CID 14177193
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
2-(4-acetamidophenyl)-N-benzylquinoline-4-carboxamide
CID 50816051
N-[(Z)-anthracen-9-ylmethylideneamino]-6-chloropyridazin-3-amine
CID 6411904
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 20854553

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide?
The IUPAC name of 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide (CID 24777127) is 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide is O=C(NCc1ccccc1)c1cc(N/N=C/c2c3ccccc3cc3ccccc23)nc2ccccc12.
What is the InChIKey of 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide?
The InChIKey is XQTPEYJBJOUEHZ-KEIPNQJHSA-N. The full InChI is InChI=1S/C32H24N4O/c37-32(33-20-22-10-2-1-3-11-22)28-19-31(35-30-17-9-8-16-27(28)30)36-34-21-29-25-14-6-4-12-23(25)18-24-13-5-7-15-26(24)29/h1-19,21H,20H2,(H,33,37)(H,35,36)/b34-21+.
What are the key properties of 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide?
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 6.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide is sourced from PubChem (CID 24777127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).