(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride

C15H19Cl2N3O2 — CID 120937933

IUPAC(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2ccccc2n1.Cl.Cl
InChIInChI=1S/C15H17N3O2.2ClH/c1-10-14(16-8-9-20-10)15(19)18-13-7-6-11-4-2-3-5-12(11)17-13;;/h2-7,10,14,16H,8-9H2,1H3,(H,17,18,19);2*1H/t10-,14+;;/m1../s1
InChIKeyWWWAOUBZKMXERS-ROXZIJFUSA-N
MW344.24 g/mol
LogP2.39
Rot. Bonds2

About (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120937933) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120937933
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2ccccc2n1.Cl.Cl
InChIInChI=1S/C15H17N3O2.2ClH/c1-10-14(16-8-9-20-10)15(19)18-13-7-6-11-4-2-3-5-12(11)17-13;;/h2-7,10,14,16H,8-9H2,1H3,(H,17,18,19);2*1H/t10-,14+;;/m1../s1
InChIKeyWWWAOUBZKMXERS-ROXZIJFUSA-N
XLogP2.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-pyridin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937700
(2R,3S)-N-(1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917220
(2R,3S)-N-[5-(dimethylamino)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120940037
(2R,3S)-N-(3-hydroxy-2-pyridinyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120943026
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941450
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-pyridin-3-ylmorpholine-3-carboxamide
CID 120937694
(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941445
(2R,3S)-N-[5-(4-fluorophenoxy)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
CID 120941039
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938479

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride (CID 120937933) is (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc2ccccc2n1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is WWWAOUBZKMXERS-ROXZIJFUSA-N. The full InChI is InChI=1S/C15H17N3O2.2ClH/c1-10-14(16-8-9-20-10)15(19)18-13-7-6-11-4-2-3-5-12(11)17-13;;/h2-7,10,14,16H,8-9H2,1H3,(H,17,18,19);2*1H/t10-,14+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 344.24 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120937933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).