trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol

C19H26N4O2 — CID 97329553

IUPACtrans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCN(C[C@@H]1CCC[C@@H]1O)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-22(13-14-5-4-8-17(14)24)18-19(23-9-11-25-12-10-23)21-16-7-3-2-6-15(16)20-18/h2-3,6-7,14,17,24H,4-5,8-13H2,1H3/t14-,17-/m0/s1
InChIKeyOQIFYTAJSADYBG-YOEHRIQHSA-N
MW342.44 g/mol
LogP2.06
Rot. Bonds4

About trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol

trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 97329553) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID97329553
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametrans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCN(C[C@@H]1CCC[C@@H]1O)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C19H26N4O2/c1-22(13-14-5-4-8-17(14)24)18-19(23-9-11-25-12-10-23)21-16-7-3-2-6-15(16)20-18/h2-3,6-7,14,17,24H,4-5,8-13H2,1H3/t14-,17-/m0/s1
InChIKeyOQIFYTAJSADYBG-YOEHRIQHSA-N
XLogP2.06
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

N,N-dimethyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-4-amine
CID 133381274
2-[(2-hydroxycyclohexyl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 75448405
(1S)-1-[(3S)-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidin-3-yl]ethanol
CID 97250145
N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-methylpiperidin-1-yl)quinoxalin-2-amine
CID 133463397
(2R)-1-[4-(3-morpholin-4-ylquinoxalin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486263
5-methyl-1-(3-morpholin-4-ylquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 122106950
1-[(3R,4R)-4-hydroxy-1-[(2-morpholin-4-ylquinolin-3-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134698083
2-[1-[(2-morpholin-4-ylquinolin-3-yl)methyl]piperidin-2-yl]acetamide
CID 77095583
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109397859
4-[4-(4-methylpiperidin-1-yl)quinazolin-2-yl]morpholine;hydrochloride
CID 6459337
2-chloro-N-(cyclohexylmethyl)-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-8-amine
CID 54312779
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol (CID 97329553) is trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol is CN(C[C@@H]1CCC[C@@H]1O)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is OQIFYTAJSADYBG-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-22(13-14-5-4-8-17(14)24)18-19(23-9-11-25-12-10-23)21-16-7-3-2-6-15(16)20-18/h2-3,6-7,14,17,24H,4-5,8-13H2,1H3/t14-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol?
trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 342.44 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[[methyl-(3-morpholin-4-ylquinoxalin-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 97329553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).