(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one

C22H20N2O2 — CID 75362373

IUPAC(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2cccnc12)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H20N2O2/c25-21(12-11-19-9-4-8-18-10-5-13-23-22(18)19)24-14-15-26-20(16-24)17-6-2-1-3-7-17/h1-13,20H,14-16H2/b12-11+
InChIKeyKWNDYXUNZXTSFV-VAWYXSNFSA-N
MW344.41 g/mol
LogP3.85
Rot. Bonds3

About (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one

(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one (PubChem CID 75362373) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one
PubChem CID75362373
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2cccnc12)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H20N2O2/c25-21(12-11-19-9-4-8-18-10-5-13-23-22(18)19)24-14-15-26-20(16-24)17-6-2-1-3-7-17/h1-13,20H,14-16H2/b12-11+
InChIKeyKWNDYXUNZXTSFV-VAWYXSNFSA-N
XLogP3.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylmorpholin-4-yl)but-2-en-1-one
CID 112727078
(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
CID 47019082
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
2-naphthalen-1-yl-1-(2-phenylmorpholin-4-yl)ethanone
CID 16894712
imidazol-1-yl-(2-phenylmorpholin-4-yl)methanone
CID 112725534
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]prop-2-en-1-one
CID 134044214
(2S)-3-methyl-2-[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-yl]butanenitrile
CID 95140332
4-[3-(2-fluorophenyl)prop-2-enoyl]morpholine-2-carboxylic acid
CID 76918600
[(2R)-2-phenylmorpholin-4-yl]-pyrazin-2-ylmethanone
CID 31414918
(E)-1-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124945662
1-(2-phenyl-1,4-oxazepan-4-yl)prop-2-en-1-one
CID 126814843

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one (CID 75362373) is (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one is O=C(/C=C/c1cccc2cccnc12)N1CCOC(c2ccccc2)C1.
What is the InChIKey of (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one?
The InChIKey is KWNDYXUNZXTSFV-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H20N2O2/c25-21(12-11-19-9-4-8-18-10-5-13-23-22(18)19)24-14-15-26-20(16-24)17-6-2-1-3-7-17/h1-13,20H,14-16H2/b12-11+.
What are the key properties of (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one?
(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one has a molecular weight of 344.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one is sourced from PubChem (CID 75362373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).