2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

C22H21F3N2O2 — CID 46301245

IUPAC2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C22H21F3N2O2/c1-4-18(21(29)26-16-9-6-8-15(12-16)22(23,24)25)27-19(28)11-14(3)17-10-5-7-13(2)20(17)27/h5-12,18H,4H2,1-3H3,(H,26,29)
InChIKeyRJAUZOQKDCFPGR-UHFFFAOYSA-N
MW402.42 g/mol
LogP5.23
Rot. Bonds4

About 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide

2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 46301245) has the molecular formula C22H21F3N2O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID46301245
Molecular FormulaC22H21F3N2O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1c(=O)cc(C)c2cccc(C)c21
InChIInChI=1S/C22H21F3N2O2/c1-4-18(21(29)26-16-9-6-8-15(12-16)22(23,24)25)27-19(28)11-14(3)17-10-5-7-13(2)20(17)27/h5-12,18H,4H2,1-3H3,(H,26,29)
InChIKeyRJAUZOQKDCFPGR-UHFFFAOYSA-N
XLogP5.23
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanamide
CID 46301204
ethyl 3-[2-(4,8-dimethyl-2-oxoquinolin-1-yl)butanoylamino]benzoate
CID 46301226
N-(3,4-dimethylphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301501
(2S)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 92751506
N-(2,5-dimethoxyphenyl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301526
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[3-(trifluoromethyl)phenyl]butanamide
CID 53056528
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
(2R)-2-[4-[(4-fluorophenyl)methyl]-2,3-dioxopiperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 95067131
1-[(2-methylphenyl)methyl]-6-oxo-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 8671200

Frequently Asked Questions

What is the IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide (CID 46301245) is 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)Nc1cccc(C(F)(F)F)c1)n1c(=O)cc(C)c2cccc(C)c21.
What is the InChIKey of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is RJAUZOQKDCFPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O2/c1-4-18(21(29)26-16-9-6-8-15(12-16)22(23,24)25)27-19(28)11-14(3)17-10-5-7-13(2)20(17)27/h5-12,18H,4H2,1-3H3,(H,26,29).
What are the key properties of 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide?
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 402.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 46301245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).