(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide

C20H17N3O2 — CID 24623966

IUPAC(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
SMILESO=C(/C=C/c1cccc2cccnc12)NNC(=O)Cc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-18(22-23-19(25)14-15-6-2-1-3-7-15)12-11-17-9-4-8-16-10-5-13-21-20(16)17/h1-13H,14H2,(H,22,24)(H,23,25)/b12-11+
InChIKeyYXAVDQITXDGITQ-VAWYXSNFSA-N
MW331.38 g/mol
LogP2.64
Rot. Bonds4

About (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide

(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide (PubChem CID 24623966) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide.

Molecular Properties

Compound Name(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
PubChem CID24623966
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
SMILESO=C(/C=C/c1cccc2cccnc12)NNC(=O)Cc1ccccc1
InChIInChI=1S/C20H17N3O2/c24-18(22-23-19(25)14-15-6-2-1-3-7-15)12-11-17-9-4-8-16-10-5-13-21-20(16)17/h1-13H,14H2,(H,22,24)(H,23,25)/b12-11+
InChIKeyYXAVDQITXDGITQ-VAWYXSNFSA-N
XLogP2.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
(E)-N-[3-(hydroxymethyl)phenyl]-3-quinolin-8-ylprop-2-enamide
CID 110883145
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
[2-(2-benzylanilino)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607846
2,5-dimethyl-N'-[(E)-3-quinolin-8-ylprop-2-enoyl]furan-3-carbohydrazide
CID 51333730
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
N-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]benzamide
CID 51336969
N'-(2-quinolin-8-ylacetyl)benzohydrazide
CID 24663185
(E)-N-(4-fluorophenyl)-3-quinolin-8-ylprop-2-enamide
CID 24616881
N-benzyl-4-[2-[(Z)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-4-oxobutanamide
CID 92962067
(E)-N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-quinolin-8-ylprop-2-enamide
CID 55510651
N,N-diethyl-3-[[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide
CID 24623463

Frequently Asked Questions

What is the IUPAC name of (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide?
The IUPAC name of (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide (CID 24623966) is (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide.
What is the SMILES notation for (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide?
The canonical SMILES for (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide is O=C(/C=C/c1cccc2cccnc12)NNC(=O)Cc1ccccc1.
What is the InChIKey of (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide?
The InChIKey is YXAVDQITXDGITQ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-18(22-23-19(25)14-15-6-2-1-3-7-15)12-11-17-9-4-8-16-10-5-13-21-20(16)17/h1-13H,14H2,(H,22,24)(H,23,25)/b12-11+.
What are the key properties of (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide?
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide has a molecular weight of 331.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide is sourced from PubChem (CID 24623966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).