[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

C28H23ClF3N3O2 — CID 3054997

IUPAC[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H23ClF3N3O2/c29-21-6-3-19(4-7-21)27(37)12-15-35(16-13-27)26(36)18-1-8-22(9-2-18)34-24-11-14-33-25-17-20(28(30,31)32)5-10-23(24)25/h1-11,14,17,37H,12-13,15-16H2,(H,33,34)
InChIKeyAZWPXPDYMDKHIC-UHFFFAOYSA-N
MW525.96 g/mol
LogP6.77
Rot. Bonds4

About [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone

[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone (PubChem CID 3054997) has the molecular formula C28H23ClF3N3O2 and a molecular weight of 525.96 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
PubChem CID3054997
Molecular FormulaC28H23ClF3N3O2
Molecular Weight525.96 g/mol
Exact Mass525.14
IUPAC Name[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
SMILESO=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H23ClF3N3O2/c29-21-6-3-19(4-7-21)27(37)12-15-35(16-13-27)26(36)18-1-8-22(9-2-18)34-24-11-14-33-25-17-20(28(30,31)32)5-10-23(24)25/h1-11,14,17,37H,12-13,15-16H2,(H,33,34)
InChIKeyAZWPXPDYMDKHIC-UHFFFAOYSA-N
XLogP6.77
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.96
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone with MolForge

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Related Compounds

[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-quinolin-6-ylmethanone
CID 54581223
Pyridine, 1,2,3,6-tetrahydro-4-(4-chlorophenyl)-1-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
CID 3054996
N-[3-[(7-chloroquinolin-4-yl)amino]-5-(hydroxymethyl)phenyl]benzamide
CID 11112218
3-[(7-Chloroquinolin-4-yl)amino]-5-[(2-piperidin-1-ylacetyl)amino]benzoic acid
CID 25146221
4-(13-chloro-2-hydroxy-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-N-pyridin-4-ylbenzamide
CID 44353729
N-[3-[(7-chloro-4-quinolyl)amino]propyl]-4-[6-(4-ethylphenyl)-1,2,4,5-tetraoxan-3-yl]benzamide
CID 53329246
(4-Phenylpiperidin-1-yl)-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 13544845
[4-Hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 13544846
[4-Hydroxy-4-(3-methylphenyl)piperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 13544848
1-[[(3-Chlorophenyl)amino]carbonyl]-4-[4-[[7-(trifluoromethyl)-4-quinolinyl]amino]benzoyl]piperazine
CID 13544859
N-[4-[4-(2-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]phenyl]quinoline-8-sulfinamide
CID 90447675
[4-(4-Chlorobenzoyl)piperazin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 13544858

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
The IUPAC name of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone (CID 3054997) is [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone is O=C(c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1)N1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
The InChIKey is AZWPXPDYMDKHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClF3N3O2/c29-21-6-3-19(4-7-21)27(37)12-15-35(16-13-27)26(36)18-1-8-22(9-2-18)34-24-11-14-33-25-17-20(28(30,31)32)5-10-23(24)25/h1-11,14,17,37H,12-13,15-16H2,(H,33,34).
What are the key properties of [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone?
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone has a molecular weight of 525.96 g/mol, XLogP of 6.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone is sourced from PubChem (CID 3054997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).