N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide

C24H21N3O3 — CID 2340885

IUPACN'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide
SMILESC=C(NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)o1
InChIInChI=1S/C24H21N3O3/c1-16-8-13-21(30-16)17(2)26-27-24(28)20-11-9-18(10-12-20)15-29-22-7-3-5-19-6-4-14-25-23(19)22/h3-14,26H,2,15H2,1H3,(H,27,28)
InChIKeyKWGUZZPLDXGUHS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.62
Rot. Bonds7

About N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide

N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide (PubChem CID 2340885) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide.

Molecular Properties

Compound NameN'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide
PubChem CID2340885
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide
SMILESC=C(NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)o1
InChIInChI=1S/C24H21N3O3/c1-16-8-13-21(30-16)17(2)26-27-24(28)20-11-9-18(10-12-20)15-29-22-7-3-5-19-6-4-14-25-23(19)22/h3-14,26H,2,15H2,1H3,(H,27,28)
InChIKeyKWGUZZPLDXGUHS-UHFFFAOYSA-N
XLogP4.62
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-[2-[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinyl]ethyl]benzamide
CID 3920678
N'-(2-quinolin-8-yloxyacetyl)benzohydrazide
CID 2981693
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 2368203
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 3994710
4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 6072663
(2S)-3-(4-phenylmethoxyphenyl)-2-[[4-(2-quinolin-8-yloxyethoxy)benzoyl]amino]propanoic acid
CID 66912848
N-methyl-5-(quinolin-8-yloxymethyl)pyridin-2-amine
CID 62194480
2-quinolin-8-yloxyacetate
CID 6950984
2-(4-fluorophenyl)-N-(4-quinolin-8-yloxybut-2-ynyl)acetamide
CID 90579752
N-methyl-4-[(quinolin-8-ylamino)methyl]benzamide
CID 157391991

Frequently Asked Questions

What is the IUPAC name of N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide?
The IUPAC name of N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide (CID 2340885) is N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide.
What is the SMILES notation for N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide?
The canonical SMILES for N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide is C=C(NNC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)o1.
What is the InChIKey of N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide?
The InChIKey is KWGUZZPLDXGUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-16-8-13-21(30-16)17(2)26-27-24(28)20-11-9-18(10-12-20)15-29-22-7-3-5-19-6-4-14-25-23(19)22/h3-14,26H,2,15H2,1H3,(H,27,28).
What are the key properties of N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide?
N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide has a molecular weight of 399.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide is sourced from PubChem (CID 2340885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).