1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate

C24H27F3N2O6 — CID 123164798

IUPAC1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
SMILESCOC(=O)C1CC2(CCc3c(c(C)nc4ccc(OC(F)(F)F)cc34)O2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H27F3N2O6/c1-13-19-15(16-10-14(33-24(25,26)27)6-7-17(16)28-13)8-9-23(34-19)11-18(20(30)32-5)29(12-23)21(31)35-22(2,3)4/h6-7,10,18H,8-9,11-12H2,1-5H3
InChIKeySFRFDMRIYHVXFS-UHFFFAOYSA-N
MW496.48 g/mol
LogP4.69
Rot. Bonds2

About 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate

1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate (PubChem CID 123164798) has the molecular formula C24H27F3N2O6 and a molecular weight of 496.48 g/mol. Its IUPAC name is 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate.

Molecular Properties

Compound Name1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
PubChem CID123164798
Molecular FormulaC24H27F3N2O6
Molecular Weight496.48 g/mol
Exact Mass496.18
IUPAC Name1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
SMILESCOC(=O)C1CC2(CCc3c(c(C)nc4ccc(OC(F)(F)F)cc34)O2)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H27F3N2O6/c1-13-19-15(16-10-14(33-24(25,26)27)6-7-17(16)28-13)8-9-23(34-19)11-18(20(30)32-5)29(12-23)21(31)35-22(2,3)4/h6-7,10,18H,8-9,11-12H2,1-5H3
InChIKeySFRFDMRIYHVXFS-UHFFFAOYSA-N
XLogP4.69
TPSA87.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.48
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate with MolForge

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Related Compounds

1-O'-tert-butyl 2-O'-methyl (2'S,3R)-9-methoxy-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;methyl (2'S,3R)-9-methoxy-5-methyl-1'-[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid
CID 158913589
1-O'-tert-butyl 2-O'-methyl 6-hydroxy-5-methylspiro[1,2-dihydropyrano[2,3-c]quinolin-6-ium-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 123761853
methyl (2'S,3S)-9-fluoro-5-methyl-1'-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate
CID 90059941
1-O'-tert-butyl 2-O'-methyl (2'S)-1-oxo-9-phenylmethoxy-5-(trifluoromethyl)spiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 144570762
1-O'-tert-butyl 2-O'-methyl 1-hydroxy-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 123812585
methyl (2'S,3S)-9-chloro-5-methyl-1'-[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]non-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate
CID 161430256
1-O'-tert-butyl 2-O'-methyl (2'S)-5-cyclopropyl-1,1-difluoro-9-methoxyspiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S)-5-cyclopropyl-9-methoxy-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 157241430
1-O'-tert-butyl 2-O'-methyl (2'S,3S)-5-cyclobutyl-1-hydroxy-9-methoxyspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-5-cyclobutyl-1-hydroxy-9-methoxyspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-5-cyclobutyl-9-methoxy-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3R)-5-cyclobutyl-9-methoxy-1-oxospiro[2H-pyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate
CID 159898708
[1-[9-hydroxy-2'-methoxycarbonyl-5-(trifluoromethyl)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1'-yl]-1-oxonon-8-en-2-yl]carbamic acid
CID 123712385
1-O'-tert-butyl 2-O'-methyl (2'S,3R)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;1-O'-tert-butyl 2-O'-methyl (2'S,3S)-7-fluoro-5-methylspiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate;N-cyclohexylcyclohexanamine;methyl (2'S,3R)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;methyl (2'S,3S)-7-fluoro-5-methyl-1'-[(2S)-2-methylnon-8-enoyl]spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-2'-carboxylate;(2S)-2-methylnon-8-enoic acid
CID 159845432
tert-butyl N-[5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',16'-dioxo-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,19'-3,17-diazatricyclo[15.3.0.04,7]icos-8-en-5-yne]-15'-yl]carbamate
CID 123184589
[(1'S,3R,4'R,6'S,7'Z,14'S)-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxo-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]-propan-2-ylcarbamic acid
CID 135340724

Frequently Asked Questions

What is the IUPAC name of 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
The IUPAC name of 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate (CID 123164798) is 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate.
What is the SMILES notation for 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
The canonical SMILES for 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate is COC(=O)C1CC2(CCc3c(c(C)nc4ccc(OC(F)(F)F)cc34)O2)CN1C(=O)OC(C)(C)C.
What is the InChIKey of 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
The InChIKey is SFRFDMRIYHVXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O6/c1-13-19-15(16-10-14(33-24(25,26)27)6-7-17(16)28-13)8-9-23(34-19)11-18(20(30)32-5)29(12-23)21(31)35-22(2,3)4/h6-7,10,18H,8-9,11-12H2,1-5H3.
What are the key properties of 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate?
1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate has a molecular weight of 496.48 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O'-tert-butyl 2-O'-methyl 5-methyl-9-(trifluoromethoxy)spiro[1,2-dihydropyrano[2,3-c]quinoline-3,4'-pyrrolidine]-1',2'-dicarboxylate is sourced from PubChem (CID 123164798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).