4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline

C36H28Cl2F4N2O2S2 — CID 161493507

IUPAC4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline
SMILESCSc1ccc(C)cc1-c1nc2cc(F)cc(F)c2c(Cl)c1C.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1
InChIInChI=1S/C18H14ClF2NO2S.C18H14ClF2NS/c1-9-4-5-15(25(3,23)24)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18;1-9-4-5-15(23-3)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18/h4-8H,1-3H3;4-8H,1-3H3
InChIKeyWFXCBWAOSIBSAB-UHFFFAOYSA-N
MW731.66 g/mol
LogP11.03
Rot. Bonds4

About 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline

4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline (PubChem CID 161493507) has the molecular formula C36H28Cl2F4N2O2S2 and a molecular weight of 731.66 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline
PubChem CID161493507
Molecular FormulaC36H28Cl2F4N2O2S2
Molecular Weight731.66 g/mol
Exact Mass730.09
IUPAC Name4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline
SMILESCSc1ccc(C)cc1-c1nc2cc(F)cc(F)c2c(Cl)c1C.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1
InChIInChI=1S/C18H14ClF2NO2S.C18H14ClF2NS/c1-9-4-5-15(25(3,23)24)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18;1-9-4-5-15(23-3)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18/h4-8H,1-3H3;4-8H,1-3H3
InChIKeyWFXCBWAOSIBSAB-UHFFFAOYSA-N
XLogP11.03
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.66
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline with MolForge

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Launch Full Analysis

Related Compounds

4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline
CID 159918638
4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline;(5-methyl-2-methylsulfanylphenyl)boronic acid
CID 158941427
4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline;4-[1-[5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinolin-4-yl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine;4-(3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-6-yl)morpholine
CID 161130473
4-chloro-2-(4-ethylphenyl)-5,7-difluoro-3-methylquinoline
CID 91215685
4-chloro-5,7-difluoro-3-methyl-2-naphthalen-1-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 157333127
4-chloro-5,7-difluoro-3-methyl-2-(1-methylindol-4-yl)quinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 158252434
4-chloro-5,7-difluoro-3-methyl-2-pyrazin-2-ylquinoline;2,4-dichloro-5,7-difluoro-3-methylquinoline
CID 158795035
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)piperidin-2-one
CID 59631552
1-(4-chloro-5,7-difluoro-3-methylquinolin-2-yl)-4-methylpiperazin-2-one
CID 59631317
4-chloro-5,7-difluoro-2-methyl-3-propan-2-ylquinoline
CID 63409144
4-chloro-5,7-difluoro-2,3-dimethylquinoline;5,7-difluoro-2,3-dimethyl-1H-quinolin-4-one
CID 158931541
2-benzyl-4-chloro-5,7-difluoro-3-methylquinoline
CID 59631490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline?
The IUPAC name of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline (CID 161493507) is 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline is CSc1ccc(C)cc1-c1nc2cc(F)cc(F)c2c(Cl)c1C.Cc1ccc(S(C)(=O)=O)c(-c2nc3cc(F)cc(F)c3c(Cl)c2C)c1.
What is the InChIKey of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline?
The InChIKey is WFXCBWAOSIBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2NO2S.C18H14ClF2NS/c1-9-4-5-15(25(3,23)24)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18;1-9-4-5-15(23-3)12(6-9)18-10(2)17(19)16-13(21)7-11(20)8-14(16)22-18/h4-8H,1-3H3;4-8H,1-3H3.
What are the key properties of 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline?
4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline has a molecular weight of 731.66 g/mol, XLogP of 11.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfanylphenyl)quinoline;4-chloro-5,7-difluoro-3-methyl-2-(5-methyl-2-methylsulfonylphenyl)quinoline is sourced from PubChem (CID 161493507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).