1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one

C20H18FN3O3 — CID 134044292

IUPAC1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O3/c21-15-7-5-14(6-8-15)19-12-23(9-10-27-19)20(26)13-24-17-4-2-1-3-16(17)18(25)11-22-24/h1-8,11,19H,9-10,12-13H2
InChIKeyMXONQGTXJUJVAB-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one

1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one (PubChem CID 134044292) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one.

Molecular Properties

Compound Name1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
PubChem CID134044292
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
SMILESO=C(Cn1ncc(=O)c2ccccc21)N1CCOC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H18FN3O3/c21-15-7-5-14(6-8-15)19-12-23(9-10-27-19)20(26)13-24-17-4-2-1-3-16(17)18(25)11-22-24/h1-8,11,19H,9-10,12-13H2
InChIKeyMXONQGTXJUJVAB-UHFFFAOYSA-N
XLogP2.14
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
2-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 134044387
3-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 46579431
2-chloro-1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 51889846
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
3-[2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropanoic acid
CID 62231452
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(2-methylphenyl)ethanone
CID 38372872
1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]cinnolin-4-one;hydrochloride
CID 120748083
1-[2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]imidazole-2-carbonitrile
CID 124614694
2-cyclopentyl-1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 94823425
2-(4-fluoroanilino)-1-[2-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 146126544
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-(4-hydroxyphenyl)sulfanylethanone
CID 125145351

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one?
The IUPAC name of 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one (CID 134044292) is 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one.
What is the SMILES notation for 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one?
The canonical SMILES for 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one is O=C(Cn1ncc(=O)c2ccccc21)N1CCOC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one?
The InChIKey is MXONQGTXJUJVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c21-15-7-5-14(6-8-15)19-12-23(9-10-27-19)20(26)13-24-17-4-2-1-3-16(17)18(25)11-22-24/h1-8,11,19H,9-10,12-13H2.
What are the key properties of 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one?
1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one has a molecular weight of 367.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one is sourced from PubChem (CID 134044292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).