bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane

C55H47Cl2F2N4O8PS2 — CID 159838165

IUPACbis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane
SMILESC.Cc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)(=O)Cc3ccon3)ccc21.Cc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)(=O)Cc3ccon3)ccc21.P
InChIInChI=1S/2C27H20ClFN2O4S.CH4.H3P/c2*1-16-11-27(32)31(26-14-24(28)23(10-17(26)2)18-4-3-5-19(29)12-18)25-7-6-21(13-22(16)25)36(33,34)15-20-8-9-35-30-20;;/h2*3-14H,15H2,1-2H3;1H4;1H3
InChIKeyNOIQKHSESSBJTL-UHFFFAOYSA-N
MW1096.01 g/mol
LogP12.75
Rot. Bonds10

About bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane

bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane (PubChem CID 159838165) has the molecular formula C55H47Cl2F2N4O8PS2 and a molecular weight of 1096.01 g/mol. Its IUPAC name is bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane.

Molecular Properties

Compound Namebis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane
PubChem CID159838165
Molecular FormulaC55H47Cl2F2N4O8PS2
Molecular Weight1096.01 g/mol
Exact Mass1094.19
IUPAC Namebis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane
SMILESC.Cc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)(=O)Cc3ccon3)ccc21.Cc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)(=O)Cc3ccon3)ccc21.P
InChIInChI=1S/2C27H20ClFN2O4S.CH4.H3P/c2*1-16-11-27(32)31(26-14-24(28)23(10-17(26)2)18-4-3-5-19(29)12-18)25-7-6-21(13-22(16)25)36(33,34)15-20-8-9-35-30-20;;/h2*3-14H,15H2,1-2H3;1H4;1H3
InChIKeyNOIQKHSESSBJTL-UHFFFAOYSA-N
XLogP12.75
TPSA164.34 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001096.01
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane 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

1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
CID 144758919
3-[[3-bromo-4-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]quinolin-7-yl]sulfonylmethyl]-1,2-oxazole;4-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-7-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-3-amine;2-methylpropane-2-sulfinamide
CID 158234867
CID 158285310
CID 158285310
3-[[4-[5-chloro-4-(3-chloro-4-fluorophenyl)-2-methoxyphenyl]quinazolin-7-yl]sulfonylmethyl]-1,2-oxazole
CID 162018222
4-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-methyl-N-(1,2-oxazol-3-yl)-1-oxoisoquinoline-7-sulfonamide;trifluoromethanesulfonic acid
CID 121333900
1-[4-(4-chloro-3-methylphenyl)-5-fluoro-2-methoxyphenyl]-6-(pyrazin-2-ylmethylsulfonyl)quinolin-2-one;phosphane
CID 159025210
CID 157121611
CID 157121611
N-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 71997572
1-(4-bromo-2-methoxyphenyl)-6-(1,2-oxazol-3-ylmethylsulfonyl)quinoxalin-2-one;1-(4-bromo-2-methoxyphenyl)-2-oxoquinoxaline-6-sulfonyl chloride;1,2-oxazol-3-amine
CID 160671602
4-chloro-3-(3-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazole
CID 158591459
CID 158036900
CID 158036900
(4aS,8aS)-1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-6-(1,2-oxazol-3-ylmethylsulfonyl)-5,7,8,8a-tetrahydro-4aH-pyrido[3,4-b][1,4]oxazin-2-one
CID 158487284

Frequently Asked Questions

What is the IUPAC name of bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane?
The IUPAC name of bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane (CID 159838165) is bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane.
What is the SMILES notation for bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane?
The canonical SMILES for bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane is C.Cc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)(=O)Cc3ccon3)ccc21.Cc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)(=O)Cc3ccon3)ccc21.P.
What is the InChIKey of bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane?
The InChIKey is NOIQKHSESSBJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H20ClFN2O4S.CH4.H3P/c2*1-16-11-27(32)31(26-14-24(28)23(10-17(26)2)18-4-3-5-19(29)12-18)25-7-6-21(13-22(16)25)36(33,34)15-20-8-9-35-30-20;;/h2*3-14H,15H2,1-2H3;1H4;1H3.
What are the key properties of bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane?
bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane has a molecular weight of 1096.01 g/mol, XLogP of 12.75, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane is sourced from PubChem (CID 159838165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).