N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide

C19H18N2O2S — CID 71985062

IUPACN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide
SMILESCC(O)(CNC(=O)C=Cc1cccc2cccnc12)c1ccsc1
InChIInChI=1S/C19H18N2O2S/c1-19(23,16-9-11-24-12-16)13-21-17(22)8-7-15-5-2-4-14-6-3-10-20-18(14)15/h2-12,23H,13H2,1H3,(H,21,22)
InChIKeyVPQZWSGWQMTTKZ-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.33
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide

N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide (PubChem CID 71985062) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide
PubChem CID71985062
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide
SMILESCC(O)(CNC(=O)C=Cc1cccc2cccnc12)c1ccsc1
InChIInChI=1S/C19H18N2O2S/c1-19(23,16-9-11-24-12-16)13-21-17(22)8-7-15-5-2-4-14-6-3-10-20-18(14)15/h2-12,23H,13H2,1H3,(H,21,22)
InChIKeyVPQZWSGWQMTTKZ-UHFFFAOYSA-N
XLogP3.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087
(E)-3-(2,6-difluorophenyl)-N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]prop-2-enamide
CID 95784614
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 71985060
(E)-3-(furan-2-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 75408131
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 71867266
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-3-methylbut-2-enamide
CID 96567087
3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)prop-2-enamide
CID 71985054
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
(E)-N-(2-pyridin-2-ylethyl)-3-quinolin-8-ylprop-2-enamide
CID 39897812
(E)-N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylpropyl)but-2-enediamide
CID 110007391
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-[5-(2-methylcyclopropyl)furan-2-yl]prop-2-enamide
CID 111519791
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide (CID 71985062) is N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide is CC(O)(CNC(=O)C=Cc1cccc2cccnc12)c1ccsc1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide?
The InChIKey is VPQZWSGWQMTTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-19(23,16-9-11-24-12-16)13-21-17(22)8-7-15-5-2-4-14-6-3-10-20-18(14)15/h2-12,23H,13H2,1H3,(H,21,22).
What are the key properties of N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide?
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide has a molecular weight of 338.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 71985062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).