N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide

C27H29F3N2O2 — CID 166670791

IUPACN-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C27H29F3N2O2/c1-3-22(26(33)32-20-9-4-17(2)5-10-20)18-6-11-21(12-7-18)34-25-14-15-31-24-13-8-19(16-23(24)25)27(28,29)30/h4-5,8-10,13-16,18,21-22H,3,6-7,11-12H2,1-2H3,(H,32,33)
InChIKeyFYDTXQVPXZHZLM-UHFFFAOYSA-N
MW470.54 g/mol
LogP7.16
Rot. Bonds6

About N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide

N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide (PubChem CID 166670791) has the molecular formula C27H29F3N2O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
PubChem CID166670791
Molecular FormulaC27H29F3N2O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC NameN-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide
SMILESCCC(C(=O)Nc1ccc(C)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C27H29F3N2O2/c1-3-22(26(33)32-20-9-4-17(2)5-10-20)18-6-11-21(12-7-18)34-25-14-15-31-24-13-8-19(16-23(24)25)27(28,29)30/h4-5,8-10,13-16,18,21-22H,3,6-7,11-12H2,1-2H3,(H,32,33)
InChIKeyFYDTXQVPXZHZLM-UHFFFAOYSA-N
XLogP7.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]propanamide
CID 130219664
4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
CID 126703080
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)butanamide
CID 146318407
1-(4-chlorophenyl)-3-[(1R)-1-(4-quinolin-4-yloxycyclohexyl)propyl]urea
CID 138559378
N-(4-methylphenyl)-2-[4-[2-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]acetamide
CID 166670928
N-(6-cyanopyridazin-3-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
CID 146318533
N-(5-chloro-2-pyridinyl)-2-[4-(6-fluoroquinolin-4-yl)oxy-2-methylcyclopentyl]butanamide
CID 153395566
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318421
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]pentanamide
CID 137390907
4-ethyl-6-(trifluoromethyl)quinoline
CID 123745234
ethyl 1-[6-(trifluoromethyl)quinolin-4-yl]sulfanylcyclobutane-1-carboxylate
CID 86291823

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide (CID 166670791) is N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide is CCC(C(=O)Nc1ccc(C)cc1)C1CCC(Oc2ccnc3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide?
The InChIKey is FYDTXQVPXZHZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N2O2/c1-3-22(26(33)32-20-9-4-17(2)5-10-20)18-6-11-21(12-7-18)34-25-14-15-31-24-13-8-19(16-23(24)25)27(28,29)30/h4-5,8-10,13-16,18,21-22H,3,6-7,11-12H2,1-2H3,(H,32,33).
What are the key properties of N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide?
N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide has a molecular weight of 470.54 g/mol, XLogP of 7.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]butanamide is sourced from PubChem (CID 166670791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).