3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

C22H19FN2O3 — CID 71898468

IUPAC3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(C=Cc1cc2ccccc2[nH]c1=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C22H19FN2O3/c23-18-14-16(5-7-20(18)25-9-11-28-12-10-25)21(26)8-6-17-13-15-3-1-2-4-19(15)24-22(17)27/h1-8,13-14H,9-12H2,(H,24,27)
InChIKeyLMXYHYLQNZZIER-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.40
Rot. Bonds4

About 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one

3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 71898468) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID71898468
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(C=Cc1cc2ccccc2[nH]c1=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C22H19FN2O3/c23-18-14-16(5-7-20(18)25-9-11-28-12-10-25)21(26)8-6-17-13-15-3-1-2-4-19(15)24-22(17)27/h1-8,13-14H,9-12H2,(H,24,27)
InChIKeyLMXYHYLQNZZIER-UHFFFAOYSA-N
XLogP3.40
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 71898468) is 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is O=C(C=Cc1cc2ccccc2[nH]c1=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is LMXYHYLQNZZIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c23-18-14-16(5-7-20(18)25-9-11-28-12-10-25)21(26)8-6-17-13-15-3-1-2-4-19(15)24-22(17)27/h1-8,13-14H,9-12H2,(H,24,27).
What are the key properties of 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 378.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 71898468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).