N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide

C28H30N4O2 — CID 24776772

IUPACN-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(N/N=C/c2ccc(OC)c3ccccc23)nc2ccccc12
InChIInChI=1S/C28H30N4O2/c1-3-4-5-10-17-29-28(33)24-18-27(31-25-14-9-8-12-22(24)25)32-30-19-20-15-16-26(34-2)23-13-7-6-11-21(20)23/h6-9,11-16,18-19H,3-5,10,17H2,1-2H3,(H,29,33)(H,31,32)/b30-19+
InChIKeyDQIJMDHQLXFZLV-NDZAJKAJSA-N
MW454.57 g/mol
LogP6.15
Rot. Bonds10

About N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide

N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide (PubChem CID 24776772) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide
PubChem CID24776772
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC NameN-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(N/N=C/c2ccc(OC)c3ccccc23)nc2ccccc12
InChIInChI=1S/C28H30N4O2/c1-3-4-5-10-17-29-28(33)24-18-27(31-25-14-9-8-12-22(24)25)32-30-19-20-15-16-26(34-2)23-13-7-6-11-21(20)23/h6-9,11-16,18-19H,3-5,10,17H2,1-2H3,(H,29,33)(H,31,32)/b30-19+
InChIKeyDQIJMDHQLXFZLV-NDZAJKAJSA-N
XLogP6.15
TPSA75.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-[(2E)-2-benzylidenehydrazinyl]-N-hexylquinoline-4-carboxamide
CID 24776773
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]acridin-9-amine
CID 45481473
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
CID 24777127
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
N-(2-methoxyethyl)-2-(propylamino)quinoline-4-carboxamide
CID 62170948
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide?
The IUPAC name of N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide (CID 24776772) is N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide?
The canonical SMILES for N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide is CCCCCCNC(=O)c1cc(N/N=C/c2ccc(OC)c3ccccc23)nc2ccccc12.
What is the InChIKey of N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide?
The InChIKey is DQIJMDHQLXFZLV-NDZAJKAJSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-3-4-5-10-17-29-28(33)24-18-27(31-25-14-9-8-12-22(24)25)32-30-19-20-15-16-26(34-2)23-13-7-6-11-21(20)23/h6-9,11-16,18-19H,3-5,10,17H2,1-2H3,(H,29,33)(H,31,32)/b30-19+.
What are the key properties of N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide?
N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide has a molecular weight of 454.57 g/mol, XLogP of 6.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[(2E)-2-[(4-methoxynaphthalen-1-yl)methylidene]hydrazinyl]quinoline-4-carboxamide is sourced from PubChem (CID 24776772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).