2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide

C23H26N4O — CID 24776773

IUPAC2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(N/N=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c1-2-3-4-10-15-24-23(28)20-16-22(26-21-14-9-8-13-19(20)21)27-25-17-18-11-6-5-7-12-18/h5-9,11-14,16-17H,2-4,10,15H2,1H3,(H,24,28)(H,26,27)/b25-17+
InChIKeyWWOIKNYIRCTVBS-KOEQRZSOSA-N
MW374.49 g/mol
LogP4.99
Rot. Bonds9

About 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide

2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide (PubChem CID 24776773) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
PubChem CID24776773
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(N/N=C/c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H26N4O/c1-2-3-4-10-15-24-23(28)20-16-22(26-21-14-9-8-13-19(20)21)27-25-17-18-11-6-5-7-12-18/h5-9,11-14,16-17H,2-4,10,15H2,1H3,(H,24,28)(H,26,27)/b25-17+
InChIKeyWWOIKNYIRCTVBS-KOEQRZSOSA-N
XLogP4.99
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide
CID 24776772
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776657
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
CID 24777127
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-heptyl-6-[2-[[4-(hexylcarbamoyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxamide
CID 118332905
N-butyl-2-(3-methylsulfanylanilino)quinoline-4-carboxamide
CID 15997804
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide?
The IUPAC name of 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide (CID 24776773) is 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide?
The canonical SMILES for 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide is CCCCCCNC(=O)c1cc(N/N=C/c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide?
The InChIKey is WWOIKNYIRCTVBS-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-3-4-10-15-24-23(28)20-16-22(26-21-14-9-8-13-19(20)21)27-25-17-18-11-6-5-7-12-18/h5-9,11-14,16-17H,2-4,10,15H2,1H3,(H,24,28)(H,26,27)/b25-17+.
What are the key properties of 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide?
2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide is sourced from PubChem (CID 24776773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).