1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide

C26H19ClFN3O4S — CID 144758919

IUPAC1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
SMILESCOc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)Nc3ccon3)ccc21
InChIInChI=1S/C26H19ClFN3O4S/c1-15-10-26(32)31(22-7-6-18(12-19(15)22)36(33)30-25-8-9-35-29-25)23-14-21(27)20(13-24(23)34-2)16-4-3-5-17(28)11-16/h3-14H,1-2H3,(H,29,30)
InChIKeyAQKZXOKJXRUTRJ-UHFFFAOYSA-N
MW523.97 g/mol
LogP5.89
Rot. Bonds6

About 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide

1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide (PubChem CID 144758919) has the molecular formula C26H19ClFN3O4S and a molecular weight of 523.97 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
PubChem CID144758919
Molecular FormulaC26H19ClFN3O4S
Molecular Weight523.97 g/mol
Exact Mass523.08
IUPAC Name1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
SMILESCOc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)Nc3ccon3)ccc21
InChIInChI=1S/C26H19ClFN3O4S/c1-15-10-26(32)31(22-7-6-18(12-19(15)22)36(33)30-25-8-9-35-29-25)23-14-21(27)20(13-24(23)34-2)16-4-3-5-17(28)11-16/h3-14H,1-2H3,(H,29,30)
InChIKeyAQKZXOKJXRUTRJ-UHFFFAOYSA-N
XLogP5.89
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.97
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxo-N-pyrimidin-2-ylquinoline-6-sulfinamide
CID 144758981
4-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-3-ethyl-N-(1,2-oxazol-3-yl)quinoline-7-sulfinamide
CID 144758797
1-[4-(4-chlorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide
CID 144759172
bis(1-[5-chloro-4-(3-fluorophenyl)-2-methylphenyl]-4-methyl-6-(1,2-oxazol-3-ylmethylsulfonyl)quinolin-2-one);methane;phosphane
CID 159838165
4-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-1-oxo-2H-isoquinoline-7-sulfinamide
CID 144758872
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-(2-methoxy-4-phenylphenyl)-N-(1,2-oxazol-3-yl)isoquinoline-6-sulfinamide
CID 144758688
[1-[5-fluoro-4-(3-fluorophenyl)-2-methoxyphenyl]-2-oxoquinolin-6-yl] thiohypochlorite
CID 144758982
1-[5-chloro-4-[3-fluoro-3-(trifluoromethyl)cyclobutyl]-2-methoxyphenyl]-5-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 166885543
1-[4-(3-chloro-5-fluorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;1-[4-(3,5-dichlorophenyl)-5-fluoro-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;methane;phosphane
CID 159791613
1-[5-(6-fluoro-3-pyridinyl)-2-methoxyphenyl]-6-(1,2-oxazol-3-ylamino)sulfanylquinolin-2-one
CID 144759118
1-[5-chloro-4-[3-fluoro-3-(trifluoromethyl)cyclobutyl]-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 162497881

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide?
The IUPAC name of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide (CID 144758919) is 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide.
What is the SMILES notation for 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide?
The canonical SMILES for 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide is COc1cc(-c2cccc(F)c2)c(Cl)cc1-n1c(=O)cc(C)c2cc(S(=O)Nc3ccon3)ccc21.
What is the InChIKey of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide?
The InChIKey is AQKZXOKJXRUTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN3O4S/c1-15-10-26(32)31(22-7-6-18(12-19(15)22)36(33)30-25-8-9-35-29-25)23-14-21(27)20(13-24(23)34-2)16-4-3-5-17(28)11-16/h3-14H,1-2H3,(H,29,30).
What are the key properties of 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide?
1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide has a molecular weight of 523.97 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-fluorophenyl)-2-methoxyphenyl]-4-methyl-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfinamide is sourced from PubChem (CID 144758919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).