4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane

C73H63ClF6N4O8S4Si — CID 158462369

IUPAC4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane
SMILESCC(=O)c1ccc(S(=O)(=O)c2ccnc3ccccc23)cc1.CC(=O)c1ccc(S)cc1.CC(=O)c1ccc(Sc2ccnc3ccccc23)cc1.CC(O)(c1ccc(S(=O)(=O)c2ccnc3ccccc23)cc1)C(F)(F)F.C[Si](C)(C)C(F)(F)F.Clc1ccnc2ccccc12
InChIInChI=1S/C18H14F3NO3S.C17H13NO3S.C17H13NOS.C9H6ClN.C8H8OS.C4H9F3Si/c1-17(23,18(19,20)21)12-6-8-13(9-7-12)26(24,25)16-10-11-22-15-5-3-2-4-14(15)16;1-12(19)13-6-8-14(9-7-13)22(20,21)17-10-11-18-16-5-3-2-4-15(16)17;1-12(19)13-6-8-14(9-7-13)20-17-10-11-18-16-5-3-2-4-15(16)17;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6(9)7-2-4-8(10)5-3-7;1-8(2,3)4(5,6)7/h2-11,23H,1H3;2-11H,1H3;2-11H,1H3;1-6H;2-5,10H,1H3;1-3H3
InChIKeyHFIKAUGDJCUYLH-UHFFFAOYSA-N
MW1430.12 g/mol
LogP19.19
Rot. Bonds10

About 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane

4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane (PubChem CID 158462369) has the molecular formula C73H63ClF6N4O8S4Si and a molecular weight of 1430.12 g/mol. Its IUPAC name is 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane.

Molecular Properties

Compound Name4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane
PubChem CID158462369
Molecular FormulaC73H63ClF6N4O8S4Si
Molecular Weight1430.12 g/mol
Exact Mass1428.29
IUPAC Name4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane
SMILESCC(=O)c1ccc(S(=O)(=O)c2ccnc3ccccc23)cc1.CC(=O)c1ccc(S)cc1.CC(=O)c1ccc(Sc2ccnc3ccccc23)cc1.CC(O)(c1ccc(S(=O)(=O)c2ccnc3ccccc23)cc1)C(F)(F)F.C[Si](C)(C)C(F)(F)F.Clc1ccnc2ccccc12
InChIInChI=1S/C18H14F3NO3S.C17H13NO3S.C17H13NOS.C9H6ClN.C8H8OS.C4H9F3Si/c1-17(23,18(19,20)21)12-6-8-13(9-7-12)26(24,25)16-10-11-22-15-5-3-2-4-14(15)16;1-12(19)13-6-8-14(9-7-13)22(20,21)17-10-11-18-16-5-3-2-4-15(16)17;1-12(19)13-6-8-14(9-7-13)20-17-10-11-18-16-5-3-2-4-15(16)17;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6(9)7-2-4-8(10)5-3-7;1-8(2,3)4(5,6)7/h2-11,23H,1H3;2-11H,1H3;2-11H,1H3;1-6H;2-5,10H,1H3;1-3H3
InChIKeyHFIKAUGDJCUYLH-UHFFFAOYSA-N
XLogP19.19
TPSA191.28 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.12
LogP ≤ 519.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane with MolForge

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Related Compounds

methyl 4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoate;4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]benzoic acid;2-[4-[(E)-1-(4-methylsulfonylphenyl)-2-[3-(6-propan-2-ylquinolin-8-yl)phenyl]ethenyl]phenyl]propan-2-ol;8-[3-[(Z)-2-(4-methylsulfonylphenyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-6-propan-2-ylquinoline
CID 158732508
4-Chloroquinoline;1-[4-[dihydroxy(quinolin-4-yl)-lambda4-sulfanyl]phenyl]ethanone;2-[4-[dihydroxy(quinolin-4-yl)-lambda4-sulfanyl]phenyl]-1,1,1-trifluoropropan-2-ol;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone
CID 161872870

Frequently Asked Questions

What is the IUPAC name of 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane?
The IUPAC name of 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane (CID 158462369) is 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane.
What is the SMILES notation for 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane?
The canonical SMILES for 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane is CC(=O)c1ccc(S(=O)(=O)c2ccnc3ccccc23)cc1.CC(=O)c1ccc(S)cc1.CC(=O)c1ccc(Sc2ccnc3ccccc23)cc1.CC(O)(c1ccc(S(=O)(=O)c2ccnc3ccccc23)cc1)C(F)(F)F.C[Si](C)(C)C(F)(F)F.Clc1ccnc2ccccc12.
What is the InChIKey of 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane?
The InChIKey is HFIKAUGDJCUYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO3S.C17H13NO3S.C17H13NOS.C9H6ClN.C8H8OS.C4H9F3Si/c1-17(23,18(19,20)21)12-6-8-13(9-7-12)26(24,25)16-10-11-22-15-5-3-2-4-14(15)16;1-12(19)13-6-8-14(9-7-13)22(20,21)17-10-11-18-16-5-3-2-4-15(16)17;1-12(19)13-6-8-14(9-7-13)20-17-10-11-18-16-5-3-2-4-15(16)17;10-8-5-6-11-9-4-2-1-3-7(8)9;1-6(9)7-2-4-8(10)5-3-7;1-8(2,3)4(5,6)7/h2-11,23H,1H3;2-11H,1H3;2-11H,1H3;1-6H;2-5,10H,1H3;1-3H3.
What are the key properties of 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane?
4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane has a molecular weight of 1430.12 g/mol, XLogP of 19.19, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinoline;1-(4-quinolin-4-ylsulfanylphenyl)ethanone;1-(4-quinolin-4-ylsulfonylphenyl)ethanone;1-(4-sulfanylphenyl)ethanone;1,1,1-trifluoro-2-(4-quinolin-4-ylsulfonylphenyl)propan-2-ol;trimethyl(trifluoromethyl)silane is sourced from PubChem (CID 158462369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).