tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate

C21H28N2O4 — CID 164532834

IUPACtert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate
SMILESCOC[C@@H]1[C@@H](C)OCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C21H28N2O4/c1-14-19(13-25-5)23(10-11-26-14)15-6-7-18-17(12-15)16(8-9-22-18)20(24)27-21(2,3)4/h6-9,12,14,19H,10-11,13H2,1-5H3/t14-,19-/m1/s1
InChIKeyFDJYOFZCOSONEL-AUUYWEPGSA-N
MW372.47 g/mol
LogP3.43
Rot. Bonds4

About tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate

tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate (PubChem CID 164532834) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate
PubChem CID164532834
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Nametert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate
SMILESCOC[C@@H]1[C@@H](C)OCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C21H28N2O4/c1-14-19(13-25-5)23(10-11-26-14)15-6-7-18-17(12-15)16(8-9-22-18)20(24)27-21(2,3)4/h6-9,12,14,19H,10-11,13H2,1-5H3/t14-,19-/m1/s1
InChIKeyFDJYOFZCOSONEL-AUUYWEPGSA-N
XLogP3.43
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate with MolForge

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Related Compounds

tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532532
tert-butyl 6-[(2R)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
CID 164533103
tert-butyl 6-[(2S)-2-methylpyrrolidin-1-yl]quinoline-4-carboxylate
CID 164532802
tert-butyl 6-(2-azabicyclo[2.2.1]heptan-2-yl)quinoline-4-carboxylate
CID 167118413
tert-butyl 6-[(3S)-3-methyl-2-oxopiperidin-1-yl]quinoline-4-carboxylate
CID 164532886
tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
CID 164532573
tert-butyl 6-(3,3-dimethyl-1-oxa-6-azaspiro[3.3]heptan-6-yl)quinoline-4-carboxylate
CID 164533128
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
tert-butyl 6-[(6-methyloxepan-3-yl)amino]quinoline-4-carboxylate
CID 167118358
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(2R,3S)-2,3-dimethylmorpholin-4-yl]quinoline-4-carboxamide
CID 164532534
methyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methoxy]quinoline-4-carboxylate
CID 176864084
6-[2-(fluoromethyl)morpholin-4-yl]quinoline-4-carboxylic acid
CID 175477073

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate?
The IUPAC name of tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate (CID 164532834) is tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate is COC[C@@H]1[C@@H](C)OCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate?
The InChIKey is FDJYOFZCOSONEL-AUUYWEPGSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-14-19(13-25-5)23(10-11-26-14)15-6-7-18-17(12-15)16(8-9-22-18)20(24)27-21(2,3)4/h6-9,12,14,19H,10-11,13H2,1-5H3/t14-,19-/m1/s1.
What are the key properties of tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate?
tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate has a molecular weight of 372.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate is sourced from PubChem (CID 164532834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).