N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide

C24H21N5O2 — CID 142023909

IUPACN-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C24H21N5O2/c25-24(28-29-26)19-7-4-9-22(14-19)30-15-17-5-3-8-21(13-17)31-16-20-12-11-18-6-1-2-10-23(18)27-20/h1-14H,15-16H2,(H3,25,26,28)
InChIKeyGFDMFQNWPSZGOA-UHFFFAOYSA-N
MW411.47 g/mol
LogP5.04
Rot. Bonds7

About N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide

N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide (PubChem CID 142023909) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide
PubChem CID142023909
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N=N\N)c1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1
InChIInChI=1S/C24H21N5O2/c25-24(28-29-26)19-7-4-9-22(14-19)30-15-17-5-3-8-21(13-17)31-16-20-12-11-18-6-1-2-10-23(18)27-20/h1-14H,15-16H2,(H3,25,26,28)
InChIKeyGFDMFQNWPSZGOA-UHFFFAOYSA-N
XLogP5.04
TPSA105.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
acetamide;3-[[3-(quinolin-2-ylmethoxy)phenyl]methyl]benzoic acid
CID 22616056
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-[[4-[[3-(2H-tetrazol-1-ium-5-ylmethoxy)phenyl]methoxy]phenoxy]methyl]quinoline
CID 163467105
N-hydrazinylidene-3-[(E)-2-[4-[(E)-2-quinolin-2-ylethenyl]phenyl]ethenyl]benzenecarboximidamide
CID 142083881
ethyl 2-methyl-6-phenylmethoxy-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241520
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
N'-amino-4-[[3-(quinolin-2-ylmethoxy)anilino]methyl]benzenecarboximidamide
CID 142223560
4-[2-oxo-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]benzonitrile
CID 14774171
2-methyl-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616018
ethyl 4-methoxy-2-methyl-6-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoate
CID 22241449

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide?
The IUPAC name of N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide (CID 142023909) is N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide.
What is the SMILES notation for N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide?
The canonical SMILES for N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide is [H]/N=C(\N=N\N)c1cccc(OCc2cccc(OCc3ccc4ccccc4n3)c2)c1.
What is the InChIKey of N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide?
The InChIKey is GFDMFQNWPSZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-24(28-29-26)19-7-4-9-22(14-19)30-15-17-5-3-8-21(13-17)31-16-20-12-11-18-6-1-2-10-23(18)27-20/h1-14H,15-16H2,(H3,25,26,28).
What are the key properties of N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide?
N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide has a molecular weight of 411.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-3-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzenecarboximidamide is sourced from PubChem (CID 142023909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).