N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide

C20H28N4O — CID 24777267

IUPACN-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(N/N=C/C(C)C)nc2ccccc12
InChIInChI=1S/C20H28N4O/c1-4-5-6-9-12-21-20(25)17-13-19(24-22-14-15(2)3)23-18-11-8-7-10-16(17)18/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3,(H,21,25)(H,23,24)/b22-14+
InChIKeyQFFNHGLKCYUESB-HYARGMPZSA-N
MW340.47 g/mol
LogP4.60
Rot. Bonds9

About N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide

N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide (PubChem CID 24777267) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide
PubChem CID24777267
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(N/N=C/C(C)C)nc2ccccc12
InChIInChI=1S/C20H28N4O/c1-4-5-6-9-12-21-20(25)17-13-19(24-22-14-15(2)3)23-18-11-8-7-10-16(17)18/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3,(H,21,25)(H,23,24)/b22-14+
InChIKeyQFFNHGLKCYUESB-HYARGMPZSA-N
XLogP4.60
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.60
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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Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide?
The IUPAC name of N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide (CID 24777267) is N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide.
What is the SMILES notation for N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide?
The canonical SMILES for N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide is CCCCCCNC(=O)c1cc(N/N=C/C(C)C)nc2ccccc12.
What is the InChIKey of N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide?
The InChIKey is QFFNHGLKCYUESB-HYARGMPZSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-5-6-9-12-21-20(25)17-13-19(24-22-14-15(2)3)23-18-11-8-7-10-16(17)18/h7-8,10-11,13-15H,4-6,9,12H2,1-3H3,(H,21,25)(H,23,24)/b22-14+.
What are the key properties of N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide?
N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazinyl]quinoline-4-carboxamide is sourced from PubChem (CID 24777267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).