[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate

C19H15N3O4S — CID 18266891

IUPAC[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc2ccccc2n1)NNC(=O)c1cccs1
InChIInChI=1S/C19H15N3O4S/c23-17(21-22-19(25)16-6-3-11-27-16)12-26-18(24)10-9-14-8-7-13-4-1-2-5-15(13)20-14/h1-11H,12H2,(H,21,23)(H,22,25)/b10-9+
InChIKeyRTHRYDOKFHOYHP-MDZDMXLPSA-N
MW381.41 g/mol
LogP2.31
Rot. Bonds5

About [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate

[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate (PubChem CID 18266891) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate
PubChem CID18266891
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate
SMILESO=C(COC(=O)/C=C/c1ccc2ccccc2n1)NNC(=O)c1cccs1
InChIInChI=1S/C19H15N3O4S/c23-17(21-22-19(25)16-6-3-11-27-16)12-26-18(24)10-9-14-8-7-13-4-1-2-5-15(13)20-14/h1-11H,12H2,(H,21,23)(H,22,25)/b10-9+
InChIKeyRTHRYDOKFHOYHP-MDZDMXLPSA-N
XLogP2.31
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

[2-(tert-butylamino)-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 46795843
3-quinolin-2-yl-1-thiophen-2-ylprop-2-en-1-one
CID 126839455
[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 8848437
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 3-(5-methylfuran-2-yl)prop-2-enoate
CID 4598833
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 55326296
methyl 4-[[2-[(E)-3-quinolin-2-ylprop-2-enoyl]oxyacetyl]amino]benzoate
CID 40585025
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] carbamate
CID 175436471
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
[2-(2-ethoxyanilino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
CID 71953117
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 55562408
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate
CID 55326250
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-quinolin-2-ylprop-2-enoate
CID 4855684

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate?
The IUPAC name of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate (CID 18266891) is [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate.
What is the SMILES notation for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate?
The canonical SMILES for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate is O=C(COC(=O)/C=C/c1ccc2ccccc2n1)NNC(=O)c1cccs1.
What is the InChIKey of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate?
The InChIKey is RTHRYDOKFHOYHP-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-17(21-22-19(25)16-6-3-11-27-16)12-26-18(24)10-9-14-8-7-13-4-1-2-5-15(13)20-14/h1-11H,12H2,(H,21,23)(H,22,25)/b10-9+.
What are the key properties of [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate?
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate has a molecular weight of 381.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] (E)-3-quinolin-2-ylprop-2-enoate is sourced from PubChem (CID 18266891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).