3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one

C20H21FN2O3 — CID 71844078

IUPAC3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C=CC(=O)c2ccc(N3CCOCC3)c(F)c2)nc1
InChIInChI=1S/C20H21FN2O3/c1-2-26-17-6-4-16(22-14-17)5-8-20(24)15-3-7-19(18(21)13-15)23-9-11-25-12-10-23/h3-8,13-14H,2,9-12H2,1H3
InChIKeyNIZFJBNIGDUQFE-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.35
Rot. Bonds6

About 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one

3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 71844078) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID71844078
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCCOc1ccc(C=CC(=O)c2ccc(N3CCOCC3)c(F)c2)nc1
InChIInChI=1S/C20H21FN2O3/c1-2-26-17-6-4-16(22-14-17)5-8-20(24)15-3-7-19(18(21)13-15)23-9-11-25-12-10-23/h3-8,13-14H,2,9-12H2,1H3
InChIKeyNIZFJBNIGDUQFE-UHFFFAOYSA-N
XLogP3.35
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 8684941
(E)-1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 8684945
1-(3-fluoro-4-morpholin-4-ylphenyl)-3-(5-methylsulfanylthiophen-2-yl)prop-2-en-1-one
CID 126814441
4-ethoxy-N-[(E)-(3-fluoro-4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 17246516
(E)-3-[2-(difluoromethoxy)phenyl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8684935
(E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 8684982
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 71898468
(E)-3-[5-(4-bromophenyl)furan-2-yl]-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 47006164
3-(3-fluoro-4-morpholin-4-ylphenyl)-1-(4-hydroxy-3-nitrophenyl)prop-2-en-1-one
CID 126814445
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
CID 111463405

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 71844078) is 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one is CCOc1ccc(C=CC(=O)c2ccc(N3CCOCC3)c(F)c2)nc1.
What is the InChIKey of 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is NIZFJBNIGDUQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-2-26-17-6-4-16(22-14-17)5-8-20(24)15-3-7-19(18(21)13-15)23-9-11-25-12-10-23/h3-8,13-14H,2,9-12H2,1H3.
What are the key properties of 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one?
3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 356.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-2-pyridinyl)-1-(3-fluoro-4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 71844078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).