[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C23H24F3NO4 — CID 7563230

IUPAC[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCC1=NC2=C(C(=O)CCC2)[C@H](c2cccc(C(F)(F)F)c2)C1C(=O)OC[C@H]1CCCO1
InChIInChI=1S/C23H24F3NO4/c1-13-19(22(29)31-12-16-7-4-10-30-16)20(21-17(27-13)8-3-9-18(21)28)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11,16,19-20H,3-4,7-10,12H2,1H3/t16-,19?,20-/m1/s1
InChIKeyXTFOXPXZIYARBN-ZNCRQWOUSA-N
MW435.44 g/mol
LogP4.61
Rot. Bonds4

About [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 7563230) has the molecular formula C23H24F3NO4 and a molecular weight of 435.44 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
PubChem CID7563230
Molecular FormulaC23H24F3NO4
Molecular Weight435.44 g/mol
Exact Mass435.17
IUPAC Name[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCC1=NC2=C(C(=O)CCC2)[C@H](c2cccc(C(F)(F)F)c2)C1C(=O)OC[C@H]1CCCO1
InChIInChI=1S/C23H24F3NO4/c1-13-19(22(29)31-12-16-7-4-10-30-16)20(21-17(27-13)8-3-9-18(21)28)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11,16,19-20H,3-4,7-10,12H2,1H3/t16-,19?,20-/m1/s1
InChIKeyXTFOXPXZIYARBN-ZNCRQWOUSA-N
XLogP4.61
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]methyl (4R)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7563217
[(2S)-oxolan-2-yl]methyl (4R)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968523
[(2R)-oxolan-2-yl]methyl (4R)-4-(2-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6960058
[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7012964
[(2S)-oxolan-2-yl]methyl (4R)-4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7566171
[(2R)-oxolan-2-yl]methyl (4R)-2,7,7-trimethyl-5-oxo-4-phenyl-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 7409497
ethyl (4S)-4-(3-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089370
propyl (4R)-4-(3-bromophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089262
propyl (4R)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7066119
2-ethoxyethyl (4R)-4-(3-fluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7312921
[(2S)-oxolan-2-yl]methyl (4R)-2,7,7-trimethyl-5-oxo-4-thiophen-3-yl-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6964666
2-methoxyethyl (4R)-4-(3-iodophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7087523

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The IUPAC name of [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 7563230) is [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.
What is the SMILES notation for [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The canonical SMILES for [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is CC1=NC2=C(C(=O)CCC2)[C@H](c2cccc(C(F)(F)F)c2)C1C(=O)OC[C@H]1CCCO1.
What is the InChIKey of [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The InChIKey is XTFOXPXZIYARBN-ZNCRQWOUSA-N. The full InChI is InChI=1S/C23H24F3NO4/c1-13-19(22(29)31-12-16-7-4-10-30-16)20(21-17(27-13)8-3-9-18(21)28)14-5-2-6-15(11-14)23(24,25)26/h2,5-6,11,16,19-20H,3-4,7-10,12H2,1H3/t16-,19?,20-/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
[(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 435.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]methyl (4S)-2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 7563230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).