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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).