5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one

C24H26F4N2O2 — CID 71011781

IUPAC5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one
SMILESCCCCC(C)(C(Nc1cccc2[nH]c(=O)ccc12)c1ccc(OC)cc1F)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-4-5-13-23(2,24(26,27)28)22(16-10-9-15(32-3)14-18(16)25)30-20-8-6-7-19-17(20)11-12-21(31)29-19/h6-12,14,22,30H,4-5,13H2,1-3H3,(H,29,31)
InChIKeyCIFLBLUWMFGNSZ-UHFFFAOYSA-N
MW450.48 g/mol
LogP6.59
Rot. Bonds8

About 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one

5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one (PubChem CID 71011781) has the molecular formula C24H26F4N2O2 and a molecular weight of 450.48 g/mol. Its IUPAC name is 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one
PubChem CID71011781
Molecular FormulaC24H26F4N2O2
Molecular Weight450.48 g/mol
Exact Mass450.19
IUPAC Name5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one
SMILESCCCCC(C)(C(Nc1cccc2[nH]c(=O)ccc12)c1ccc(OC)cc1F)C(F)(F)F
InChIInChI=1S/C24H26F4N2O2/c1-4-5-13-23(2,24(26,27)28)22(16-10-9-15(32-3)14-18(16)25)30-20-8-6-7-19-17(20)11-12-21(31)29-19/h6-12,14,22,30H,4-5,13H2,1-3H3,(H,29,31)
InChIKeyCIFLBLUWMFGNSZ-UHFFFAOYSA-N
XLogP6.59
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.48
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one with MolForge

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)heptylhydrazine
CID 105256947
1-(2-fluoro-4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 81305365
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340
1-(2-fluoro-4-methoxyphenyl)-N,2,2-trimethylpropan-1-amine
CID 43561378
2-ethyl-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 43764537
1-N-ethyl-1-(2-fluoro-4-methoxyphenyl)-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 103395656
5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpentan-1-amine
CID 115517528
(1R)-1-(2-fluoro-4-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171200074
5-[[1-(5-chloro-3-fluoro-2-methoxyphenyl)-3,3,3-trifluoro-2-hydroxy-2-(nitrosomethyl)propyl]amino]-7-ethyl-1H-quinolin-2-one
CID 162586358
2,3-difluoro-N-[1-(2-fluoro-4-methoxyphenyl)ethyl]aniline
CID 61074846
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]pentan-1-amine
CID 43757588
[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
CID 105256874

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one?
The IUPAC name of 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one (CID 71011781) is 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one?
The canonical SMILES for 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one is CCCCC(C)(C(Nc1cccc2[nH]c(=O)ccc12)c1ccc(OC)cc1F)C(F)(F)F.
What is the InChIKey of 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one?
The InChIKey is CIFLBLUWMFGNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F4N2O2/c1-4-5-13-23(2,24(26,27)28)22(16-10-9-15(32-3)14-18(16)25)30-20-8-6-7-19-17(20)11-12-21(31)29-19/h6-12,14,22,30H,4-5,13H2,1-3H3,(H,29,31).
What are the key properties of 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one?
5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one has a molecular weight of 450.48 g/mol, XLogP of 6.59, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-fluoro-4-methoxyphenyl)-2-methyl-2-(trifluoromethyl)hexyl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 71011781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).