ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate

C20H17NO3 — CID 135713038

IUPACethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C(/O)c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H17NO3/c1-2-24-20(23)18(19(22)15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)21-17/h3-13,22H,2H2,1H3/b19-18+
InChIKeyXEFBNVAOFNAAAG-VHEBQXMUSA-N
MW319.36 g/mol
LogP4.22
Rot. Bonds4

About ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate

ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate (PubChem CID 135713038) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate
PubChem CID135713038
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Nameethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate
SMILESCCOC(=O)/C(=C(/O)c1ccccc1)c1ccc2ccccc2n1
InChIInChI=1S/C20H17NO3/c1-2-24-20(23)18(19(22)15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)21-17/h3-13,22H,2H2,1H3/b19-18+
InChIKeyXEFBNVAOFNAAAG-VHEBQXMUSA-N
XLogP4.22
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-2-phenyl-1-quinolin-2-ylethenyl) benzoate
CID 3579145
ethyl 3-hydroxy-2-methyl-3-phenylprop-2-enoate
CID 174429046
ethyl 3-hydroxy-2-phenylbut-2-enoate
CID 138115443
ethyl (Z)-2-methyl-3-quinolin-2-ylprop-2-enoate
CID 59134931
ethyl 2,3-diphenylbut-2-enoate
CID 175493323
ethyl 3,3-dichloro-2-phenylprop-2-enoate
CID 121217995
(3,5-dimethylphenyl)-quinolin-2-ylmethanone
CID 63222794
N-ethyl-N-methylquinoline-2-carboxamide
CID 19793658
1-quinolin-2-ylbutan-1-one
CID 14895778
ethyl 2-oxo-2-phenylacetate
CID 15349
copper;quinoline-2-carboxylic acid
CID 68537473
europium;quinoline-2-carboxylic acid
CID 87730482

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate?
The IUPAC name of ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate (CID 135713038) is ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate is CCOC(=O)/C(=C(/O)c1ccccc1)c1ccc2ccccc2n1.
What is the InChIKey of ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate?
The InChIKey is XEFBNVAOFNAAAG-VHEBQXMUSA-N. The full InChI is InChI=1S/C20H17NO3/c1-2-24-20(23)18(19(22)15-9-4-3-5-10-15)17-13-12-14-8-6-7-11-16(14)21-17/h3-13,22H,2H2,1H3/b19-18+.
What are the key properties of ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate?
ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate has a molecular weight of 319.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-hydroxy-3-phenyl-2-quinolin-2-ylprop-2-enoate is sourced from PubChem (CID 135713038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).