2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H20F3N3O4 — CID 17251194

IUPAC2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-19-7-2-1-6-17(19)18(13-21(29)31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30)
InChIKeyRXKJZCINGSVHLX-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.13
Rot. Bonds4

About 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 17251194) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID17251194
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-19-7-2-1-6-17(19)18(13-21(29)31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30)
InChIKeyRXKJZCINGSVHLX-UHFFFAOYSA-N
XLogP3.13
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369732
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17251163
N-(2,3-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251039
N-(2,5-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251117
N-(2,5-dimethoxyphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369730
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251216
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833392
N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 17251065
2-(2-oxo-1,3-oxazinan-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 110860875
2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17031747
2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2974288

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 17251194) is 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(=O)cc(C(=O)N2CCOCC2)c2ccccc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RXKJZCINGSVHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-19-7-2-1-6-17(19)18(13-21(29)31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30).
What are the key properties of 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 459.42 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 17251194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).