4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide

C21H19F3N2O3 — CID 20862014

IUPAC4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCn1c(=O)cc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C21H19F3N2O3/c1-26-17-9-3-2-8-16(17)18(13-20(26)28)29-11-5-10-19(27)25-15-7-4-6-14(12-15)21(22,23)24/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,27)
InChIKeyMBTZPOAHUSXGKN-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.36
Rot. Bonds6

About 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide

4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 20862014) has the molecular formula C21H19F3N2O3 and a molecular weight of 404.39 g/mol. Its IUPAC name is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID20862014
Molecular FormulaC21H19F3N2O3
Molecular Weight404.39 g/mol
Exact Mass404.13
IUPAC Name4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCn1c(=O)cc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C21H19F3N2O3/c1-26-17-9-3-2-8-16(17)18(13-20(26)28)29-11-5-10-19(27)25-15-7-4-6-14(12-15)21(22,23)24/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,27)
InChIKeyMBTZPOAHUSXGKN-UHFFFAOYSA-N
XLogP4.36
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-oxo-N-[3-(trifluoromethyl)phenyl]heptanamide
CID 12857135
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3715457
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20856523
3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
4-[2-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]butanoic acid
CID 134086672
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(1-methyl-2-oxoquinolin-4-yl)oxybutanamide
CID 20862044
N-cyclopentyl-5-[2,4-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]quinazolin-3-yl]pentanamide
CID 22429724
2-[2-(3-phenylpropoxy)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54826954
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903059
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4903112

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide (CID 20862014) is 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide is Cn1c(=O)cc(OCCCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MBTZPOAHUSXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3/c1-26-17-9-3-2-8-16(17)18(13-20(26)28)29-11-5-10-19(27)25-15-7-4-6-14(12-15)21(22,23)24/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,25,27).
What are the key properties of 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide?
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 404.39 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 20862014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).