6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane

C30H30Cl2F3N3OS — CID 145265468

IUPAC6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane
SMILESCC.Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(SC(F)(F)F)CC3)ccnc12
InChIInChI=1S/C28H24Cl2F3N3OS.C2H6/c29-20-5-1-17(2-6-20)26(18-3-7-21(30)8-4-18)19-15-23-24(9-12-34-27(23)25(37)16-19)35-22-10-13-36(14-11-22)38-28(31,32)33;1-2/h1-9,12,15-16,22,26,37H,10-11,13-14H2,(H,34,35);1-2H3
InChIKeyUVOYRIYERMTIPE-UHFFFAOYSA-N
MW608.56 g/mol
LogP9.50
Rot. Bonds6

About 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane

6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane (PubChem CID 145265468) has the molecular formula C30H30Cl2F3N3OS and a molecular weight of 608.56 g/mol. Its IUPAC name is 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane.

Molecular Properties

Compound Name6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane
PubChem CID145265468
Molecular FormulaC30H30Cl2F3N3OS
Molecular Weight608.56 g/mol
Exact Mass607.14
IUPAC Name6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane
SMILESCC.Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(SC(F)(F)F)CC3)ccnc12
InChIInChI=1S/C28H24Cl2F3N3OS.C2H6/c29-20-5-1-17(2-6-20)26(18-3-7-21(30)8-4-18)19-15-23-24(9-12-34-27(23)25(37)16-19)35-22-10-13-36(14-11-22)38-28(31,32)33;1-2/h1-9,12,15-16,22,26,37H,10-11,13-14H2,(H,34,35);1-2H3
InChIKeyUVOYRIYERMTIPE-UHFFFAOYSA-N
XLogP9.50
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.56
LogP ≤ 59.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane with MolForge

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Related Compounds

6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-ol
CID 118323944
8-(4-aminobutoxy)-6-[bis(4-chlorophenyl)methyl]-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine
CID 118323981
3-[[(7-Chloroquinolin-4-yl)amino]-[4-(piperazin-1-ylmethyl)phenyl]methyl]phenol
CID 162656032
N-[4-[6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-yl]oxybutyl]acetamide
CID 118323970
6-[bis(4-chlorophenyl)methyl]-8-methoxy-N-[1-(trifluoromethylsulfonyl)piperidin-4-yl]quinolin-4-amine
CID 118323987
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 126617685
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[6-[Bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]amino]quinolin-8-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]but-1-en-2-ol
CID 139267929
2-[4-(4-Aminopiperidin-1-yl)-3-(3-fluorophenyl)quinolin-6-yl]-6-chloro-3,4-difluorophenol
CID 155295534
10-(2-Aminoethyl)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-12-ol;bis(2,2,2-trifluoroacetic acid)
CID 49797643
4-Chloro-2-(6-p-tolylquinolin-4-ylamino)phenol
CID 49862003
4-Chloro-2-(6-phenylquinolin-4-ylamino)phenol
CID 49862050
4-(6-(4-Chlorophenyl)quinolin-4-ylamino)phenol
CID 49862780

Frequently Asked Questions

What is the IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane?
The IUPAC name of 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane (CID 145265468) is 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane.
What is the SMILES notation for 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane?
The canonical SMILES for 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane is CC.Oc1cc(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc2c(NC3CCN(SC(F)(F)F)CC3)ccnc12.
What is the InChIKey of 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane?
The InChIKey is UVOYRIYERMTIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2F3N3OS.C2H6/c29-20-5-1-17(2-6-20)26(18-3-7-21(30)8-4-18)19-15-23-24(9-12-34-27(23)25(37)16-19)35-22-10-13-36(14-11-22)38-28(31,32)33;1-2/h1-9,12,15-16,22,26,37H,10-11,13-14H2,(H,34,35);1-2H3.
What are the key properties of 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane?
6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane has a molecular weight of 608.56 g/mol, XLogP of 9.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bis(4-chlorophenyl)methyl]-4-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]quinolin-8-ol;ethane is sourced from PubChem (CID 145265468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).