1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide

C23H20FN3O5S — CID 162497958

IUPAC1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide
SMILESCOc1cc(C2CCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncco3)ccc21
InChIInChI=1S/C23H20FN3O5S/c1-31-21-12-17(14-3-2-4-14)18(24)13-20(21)27-19-7-6-16(11-15(19)5-8-22(27)28)33(29,30)26-23-25-9-10-32-23/h5-14H,2-4H2,1H3,(H,25,26)
InChIKeyZHVWDFZWIFKPDG-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.19
Rot. Bonds6

About 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide

1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide (PubChem CID 162497958) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide
PubChem CID162497958
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC Name1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide
SMILESCOc1cc(C2CCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncco3)ccc21
InChIInChI=1S/C23H20FN3O5S/c1-31-21-12-17(14-3-2-4-14)18(24)13-20(21)27-19-7-6-16(11-15(19)5-8-22(27)28)33(29,30)26-23-25-9-10-32-23/h5-14H,2-4H2,1H3,(H,25,26)
InChIKeyZHVWDFZWIFKPDG-UHFFFAOYSA-N
XLogP4.19
TPSA103.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide with MolForge

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Related Compounds

1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxo-N-pyridazin-3-ylquinoline-6-sulfonamide
CID 162497925
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;bromozinc(1+);cyclobutane;1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 163731656
1-[5-fluoro-2-methoxy-4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 118864931
1-[5-chloro-4-[3-fluoro-3-(trifluoromethyl)cyclobutyl]-2-methoxyphenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 162497881
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-(4,6-dimethyl-2-pyridinyl)-2-oxoquinoline-6-sulfonamide
CID 118864927
1-[5-fluoro-2-methoxy-4-(1,1,3,3,3-pentafluoropropyl)phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 129251464
1-[5-fluoro-2-methoxy-4-(2,2,3,3,3-pentafluoropropyl)phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane
CID 157198313
1-[5-chloro-2-methoxy-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide
CID 162497840
1-(4-bromo-5-fluoro-2-methoxyphenyl)-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;bis(1-[5-fluoro-2-methoxy-4-[(1S,2S)-2-(trifluoromethyl)cyclopropyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide);1-[5-fluoro-2-methoxy-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;6-methyl-2-[(1S,2S)-2-methylcyclopropyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 163704618
7-fluoro-1-[5-fluoro-2-methoxy-4-[3-(trifluoromethyl)cyclobutyl]phenyl]-N-(1,2-oxazol-3-yl)-2-oxoquinoline-6-sulfonamide;phosphane
CID 163946873
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-[4-(4-chloro-3-methylphenyl)-2-methoxyphenyl]-N-(5-fluoro-2-pyridinyl)-2-oxoquinoline-6-sulfonamide
CID 86344331

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide?
The IUPAC name of 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide (CID 162497958) is 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide?
The canonical SMILES for 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide is COc1cc(C2CCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncco3)ccc21.
What is the InChIKey of 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide?
The InChIKey is ZHVWDFZWIFKPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c1-31-21-12-17(14-3-2-4-14)18(24)13-20(21)27-19-7-6-16(11-15(19)5-8-22(27)28)33(29,30)26-23-25-9-10-32-23/h5-14H,2-4H2,1H3,(H,25,26).
What are the key properties of 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide?
1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide has a molecular weight of 469.49 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyl-5-fluoro-2-methoxyphenyl)-N-(1,3-oxazol-2-yl)-2-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 162497958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).