[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate

C24H24N2O5 — CID 135766683

IUPAC[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C24H24N2O5/c1-15-12-26(13-16(2)31-15)23(28)14-30-24(29)20-11-22(17-7-9-18(27)10-8-17)25-21-6-4-3-5-19(20)21/h3-11,15-16,27H,12-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyFMHWTIJGAUNSOK-HZPDHXFCSA-N
MW420.47 g/mol
LogP3.40
Rot. Bonds4

About [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate (PubChem CID 135766683) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
PubChem CID135766683
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILESC[C@@H]1CN(C(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C24H24N2O5/c1-15-12-26(13-16(2)31-15)23(28)14-30-24(29)20-11-22(17-7-9-18(27)10-8-17)25-21-6-4-3-5-19(20)21/h3-11,15-16,27H,12-14H2,1-2H3/t15-,16-/m1/s1
InChIKeyFMHWTIJGAUNSOK-HZPDHXFCSA-N
XLogP3.40
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009952
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780546
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780545
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23936357
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] naphthalene-1-carboxylate
CID 4202152
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135798280
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2,4-dimethylquinoline-3-carboxylate
CID 8825087
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547

Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate (CID 135766683) is [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate is C[C@@H]1CN(C(=O)COC(=O)c2cc(-c3ccc(O)cc3)nc3ccccc23)C[C@@H](C)O1.
What is the InChIKey of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
The InChIKey is FMHWTIJGAUNSOK-HZPDHXFCSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-15-12-26(13-16(2)31-15)23(28)14-30-24(29)20-11-22(17-7-9-18(27)10-8-17)25-21-6-4-3-5-19(20)21/h3-11,15-16,27H,12-14H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate?
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate has a molecular weight of 420.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 135766683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).