N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide

C26H21N5 — CID 142083881

IUPACN-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(/C=C/c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C26H21N5/c27-26(30-31-28)23-6-3-4-21(18-23)13-12-19-8-10-20(11-9-19)14-16-24-17-15-22-5-1-2-7-25(22)29-24/h1-18H,(H3,27,28,30)/b13-12+,16-14+
InChIKeyNVVBXQCSXAAGKX-OBURPCBNSA-N
MW403.49 g/mol
LogP6.23
Rot. Bonds5

About N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide

N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide (PubChem CID 142083881) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide
PubChem CID142083881
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC NameN-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(/C=C/c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1
InChIInChI=1S/C26H21N5/c27-26(30-31-28)23-6-3-4-21(18-23)13-12-19-8-10-20(11-9-19)14-16-24-17-15-22-5-1-2-7-25(22)29-24/h1-18H,(H3,27,28,30)/b13-12+,16-14+
InChIKeyNVVBXQCSXAAGKX-OBURPCBNSA-N
XLogP6.23
TPSA87.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-2-phenylethenyl]quinoline;sulfuric acid
CID 75366284
2-[(E)-2-(3-bromophenyl)ethenyl]quinoline
CID 5378705
3-amino-N-hydrazinylidenebenzenecarboximidamide
CID 123350949
2-[(E)-2-(4-chlorophenyl)ethenyl]quinoline
CID 5377682
trimethyl-[4-(2-quinolin-2-ylethenyl)phenyl]azanium
CID 2750433
2-[(E)-2-phenylethenyl]quinolin-6-amine
CID 18506496
2-(2-phenylethenyl)quinolin-6-amine
CID 54111985
2-[(E)-2-(3-bromo-4-fluorophenyl)ethenyl]quinoline
CID 7945992
2-[(E)-2-(1H-indol-5-yl)ethenyl]quinoline
CID 142044528
2-[(E)-2-[3-[chloro(phenyl)methyl]phenyl]ethenyl]quinoline;hydrochloride
CID 19102588
2-methoxy-5-[(E)-2-quinolin-2-ylethenyl]phenol
CID 5474190
N,N-dimethyl-4-[(E)-2-quinolin-2-ylethenyl]aniline;hydrochloride
CID 6508810

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide?
The IUPAC name of N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide (CID 142083881) is N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide.
What is the SMILES notation for N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide?
The canonical SMILES for N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide is [H]/N=C(\N=N\N)c1cccc(/C=C/c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1.
What is the InChIKey of N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide?
The InChIKey is NVVBXQCSXAAGKX-OBURPCBNSA-N. The full InChI is InChI=1S/C26H21N5/c27-26(30-31-28)23-6-3-4-21(18-23)13-12-19-8-10-20(11-9-19)14-16-24-17-15-22-5-1-2-7-25(22)29-24/h1-18H,(H3,27,28,30)/b13-12+,16-14+.
What are the key properties of N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide?
N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide has a molecular weight of 403.49 g/mol, XLogP of 6.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide is sourced from PubChem (CID 142083881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).