methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate

C17H17F3N2O3 — CID 156648946

IUPACmethyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C17H17F3N2O3/c1-10-8-22(9-14(25-10)16(23)24-2)13-6-5-12(17(18,19)20)15-11(13)4-3-7-21-15/h3-7,10,14H,8-9H2,1-2H3/t10-,14-/m1/s1
InChIKeyBXBXFHOHIGBTIR-QMTHXVAHSA-N
MW354.33 g/mol
LogP3.02
Rot. Bonds2

About methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate

methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate (PubChem CID 156648946) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
PubChem CID156648946
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Namemethyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate
SMILESCOC(=O)[C@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@@H](C)O1
InChIInChI=1S/C17H17F3N2O3/c1-10-8-22(9-14(25-10)16(23)24-2)13-6-5-12(17(18,19)20)15-11(13)4-3-7-21-15/h3-7,10,14H,8-9H2,1-2H3/t10-,14-/m1/s1
InChIKeyBXBXFHOHIGBTIR-QMTHXVAHSA-N
XLogP3.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]butanamide
CID 166776961
5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-ol
CID 129241108
(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-amine
CID 129240522
4-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]pyrrolidin-3-amine
CID 174114905
(2R,6R)-4-(8-cyanoquinolin-5-yl)-N,6-dimethylmorpholine-2-carboxamide
CID 118007139
(2R,6S)-4-(8-methoxyquinolin-5-yl)-2,6-dimethylmorpholine
CID 118006697
3-amino-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]propanamide
CID 146316950
5-[(2R,6R)-2-methyl-6-propanoylmorpholin-4-yl]quinoline-8-carbonitrile
CID 118006562
2-methoxyethyl 2-[[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 146229462
2-(1-hydroxycyclopropyl)-N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]acetamide
CID 129241298
(2R,6R)-4-(8-cyanoquinolin-5-yl)-6-methyl-N-[(3S)-4,4,4-trifluoro-3-hydroxybutyl]morpholine-2-carboxamide
CID 118007420
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[5-methyl-1-[8-(trifluoromethyl)quinolin-5-yl]piperidin-3-yl]amino]acetate
CID 129275640

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate?
The IUPAC name of methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate (CID 156648946) is methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate.
What is the SMILES notation for methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate?
The canonical SMILES for methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate is COC(=O)[C@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@@H](C)O1.
What is the InChIKey of methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate?
The InChIKey is BXBXFHOHIGBTIR-QMTHXVAHSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c1-10-8-22(9-14(25-10)16(23)24-2)13-6-5-12(17(18,19)20)15-11(13)4-3-7-21-15/h3-7,10,14H,8-9H2,1-2H3/t10-,14-/m1/s1.
What are the key properties of methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate?
methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate has a molecular weight of 354.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6R)-6-methyl-4-[8-(trifluoromethyl)quinolin-5-yl]morpholine-2-carboxylate is sourced from PubChem (CID 156648946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).