(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride

C16H21Cl2N3O2 — CID 120938479

IUPAC(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-11-15(18-8-9-21-11)16(20)19-10-14-13-5-3-2-4-12(13)6-7-17-14;;/h2-7,11,15,18H,8-10H2,1H3,(H,19,20);2*1H/t11-,15+;;/m1../s1
InChIKeyGBMKRONKOQYRJQ-CFOQQKEYSA-N
MW358.27 g/mol
LogP2.07
Rot. Bonds3

About (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120938479) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120938479
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C16H19N3O2.2ClH/c1-11-15(18-8-9-21-11)16(20)19-10-14-13-5-3-2-4-12(13)6-7-17-14;;/h2-7,11,15,18H,8-10H2,1H3,(H,19,20);2*1H/t11-,15+;;/m1../s1
InChIKeyGBMKRONKOQYRJQ-CFOQQKEYSA-N
XLogP2.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]morpholine-3-carboxamide
CID 120926840
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120924763
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylmorpholine-3-carboxamide
CID 120922049
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120928446
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120938479) is (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCc1nccc2ccccc12.Cl.Cl.
What is the InChIKey of (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is GBMKRONKOQYRJQ-CFOQQKEYSA-N. The full InChI is InChI=1S/C16H19N3O2.2ClH/c1-11-15(18-8-9-21-11)16(20)19-10-14-13-5-3-2-4-12(13)6-7-17-14;;/h2-7,11,15,18H,8-10H2,1H3,(H,19,20);2*1H/t11-,15+;;/m1../s1.
What are the key properties of (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(isoquinolin-1-ylmethyl)-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120938479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).