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

C19H24N2O3 — CID 164532532

IUPACtert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
SMILESC[C@@H]1COCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H24N2O3/c1-13-12-23-10-9-21(13)14-5-6-17-16(11-14)15(7-8-20-17)18(22)24-19(2,3)4/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
InChIKeyCBTNFXOTRBKGFE-CYBMUJFWSA-N
MW328.41 g/mol
LogP3.42
Rot. Bonds2

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

tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate (PubChem CID 164532532) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
PubChem CID164532532
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nametert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate
SMILESC[C@@H]1COCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1
InChIInChI=1S/C19H24N2O3/c1-13-12-23-10-9-21(13)14-5-6-17-16(11-14)15(7-8-20-17)18(22)24-19(2,3)4/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
InChIKeyCBTNFXOTRBKGFE-CYBMUJFWSA-N
XLogP3.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(2R,3R)-3-(methoxymethyl)-2-methylmorpholin-4-yl]quinoline-4-carboxylate
CID 164532834
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
methyl 6-morpholin-4-ylquinoline-4-carboxylate
CID 102941785
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
tert-butyl 6-[(6-methyloxepan-3-yl)amino]quinoline-4-carboxylate
CID 167118358
N-[2-(4-cyano-1,3-thiazolidin-3-yl)-2-oxoethyl]-6-(3-methyl-1,4-oxazepan-4-yl)quinoline-4-carboxamide
CID 175477075
N-[2-[(4R)-4-cyano-1,3-thiazolidin-3-yl]-2-oxoethyl]-6-[(3S)-3-methyl-1,4-oxazepan-4-yl]quinoline-4-carboxamide
CID 164532851
tert-butyl N-[(1R)-1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]ethyl]carbamate
CID 139516361

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate?
The IUPAC name of tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate (CID 164532532) is tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate is C[C@@H]1COCCN1c1ccc2nccc(C(=O)OC(C)(C)C)c2c1.
What is the InChIKey of tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate?
The InChIKey is CBTNFXOTRBKGFE-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-12-23-10-9-21(13)14-5-6-17-16(11-14)15(7-8-20-17)18(22)24-19(2,3)4/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate?
tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3R)-3-methylmorpholin-4-yl]quinoline-4-carboxylate is sourced from PubChem (CID 164532532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).