4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline

C34H22Cl2F6N2O2S2 — CID 159918638

IUPAC4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline
SMILESCSc1ccc(F)cc1-c1nc2cc(F)cc(F)c2c(Cl)c1C.Cc1c(-c2cc(F)ccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C17H11ClF3NO2S.C17H11ClF3NS/c1-8-16(18)15-12(21)6-10(20)7-13(15)22-17(8)11-5-9(19)3-4-14(11)25(2,23)24;1-8-16(18)15-12(21)6-10(20)7-13(15)22-17(8)11-5-9(19)3-4-14(11)23-2/h3-7H,1-2H3;3-7H,1-2H3
InChIKeyNYCPTYAXTHYHEW-UHFFFAOYSA-N
MW739.59 g/mol
LogP10.69
Rot. Bonds4

About 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline

4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline (PubChem CID 159918638) has the molecular formula C34H22Cl2F6N2O2S2 and a molecular weight of 739.59 g/mol. Its IUPAC name is 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline.

Molecular Properties

Compound Name4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline
PubChem CID159918638
Molecular FormulaC34H22Cl2F6N2O2S2
Molecular Weight739.59 g/mol
Exact Mass738.04
IUPAC Name4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline
SMILESCSc1ccc(F)cc1-c1nc2cc(F)cc(F)c2c(Cl)c1C.Cc1c(-c2cc(F)ccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1Cl
InChIInChI=1S/C17H11ClF3NO2S.C17H11ClF3NS/c1-8-16(18)15-12(21)6-10(20)7-13(15)22-17(8)11-5-9(19)3-4-14(11)25(2,23)24;1-8-16(18)15-12(21)6-10(20)7-13(15)22-17(8)11-5-9(19)3-4-14(11)23-2/h3-7H,1-2H3;3-7H,1-2H3
InChIKeyNYCPTYAXTHYHEW-UHFFFAOYSA-N
XLogP10.69
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.59
LogP ≤ 510.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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-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
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433
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)-5,5-dimethylpiperidin-2-one
CID 59631203
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
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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline?
The IUPAC name of 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) is 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline.
What is the SMILES notation for 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline?
The canonical SMILES for 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline is CSc1ccc(F)cc1-c1nc2cc(F)cc(F)c2c(Cl)c1C.Cc1c(-c2cc(F)ccc2S(C)(=O)=O)nc2cc(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline?
The InChIKey is NYCPTYAXTHYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3NO2S.C17H11ClF3NS/c1-8-16(18)15-12(21)6-10(20)7-13(15)22-17(8)11-5-9(19)3-4-14(11)25(2,23)24;1-8-16(18)15-12(21)6-10(20)7-13(15)22-17(8)11-5-9(19)3-4-14(11)23-2/h3-7H,1-2H3;3-7H,1-2H3.
What are the key properties of 4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline?
4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline has a molecular weight of 739.59 g/mol, XLogP of 10.69, 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-2-(5-fluoro-2-methylsulfanylphenyl)-3-methylquinoline;4-chloro-5,7-difluoro-2-(5-fluoro-2-methylsulfonylphenyl)-3-methylquinoline is sourced from PubChem (CID 159918638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).