tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate

C25H39N5O4 — CID 160557752

IUPACtert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate
SMILESCC(C)(C)OC(=O)CCCCCNc1nc2cc(OCCN3CCOCC3)ccc2nc1CN
InChIInChI=1S/C25H39N5O4/c1-25(2,3)34-23(31)7-5-4-6-10-27-24-22(18-26)28-20-9-8-19(17-21(20)29-24)33-16-13-30-11-14-32-15-12-30/h8-9,17H,4-7,10-16,18,26H2,1-3H3,(H,27,29)
InChIKeyHFTDOQVEKPTLFA-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.11
Rot. Bonds12

About tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate

tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate (PubChem CID 160557752) has the molecular formula C25H39N5O4 and a molecular weight of 473.62 g/mol. Its IUPAC name is tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate.

Molecular Properties

Compound Nametert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate
PubChem CID160557752
Molecular FormulaC25H39N5O4
Molecular Weight473.62 g/mol
Exact Mass473.30
IUPAC Nametert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate
SMILESCC(C)(C)OC(=O)CCCCCNc1nc2cc(OCCN3CCOCC3)ccc2nc1CN
InChIInChI=1S/C25H39N5O4/c1-25(2,3)34-23(31)7-5-4-6-10-27-24-22(18-26)28-20-9-8-19(17-21(20)29-24)33-16-13-30-11-14-32-15-12-30/h8-9,17H,4-7,10-16,18,26H2,1-3H3,(H,27,29)
InChIKeyHFTDOQVEKPTLFA-UHFFFAOYSA-N
XLogP3.11
TPSA111.83 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate with MolForge

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Related Compounds

tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
CID 158488218
tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate
CID 135276214
3-methyl-1-[4-[[1-methyl-7-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butylamino]-1-oxobutan-2-olate
CID 142406457
2-chloro-N-[4-[[1-methyl-7-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]butyl]benzamide
CID 142746120
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
CID 10246128
1-[5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-yl]ethanone
CID 90083469
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[6-(4-tert-butylphenoxy)hexyl]morpholine
CID 2238032
tert-butyl 7-[[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]heptanoate;hydroiodide
CID 111826261
4-[2-[8-(thiophen-2-ylmethoxy)phenazin-2-yl]oxyethyl]morpholine
CID 155191722
ethyl 5-(2-morpholin-4-ylethoxy)-1H-indole-2-carboxylate
CID 11623861
ethyl 5-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate
CID 18668888

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate?
The IUPAC name of tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate (CID 160557752) is tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate.
What is the SMILES notation for tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate?
The canonical SMILES for tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate is CC(C)(C)OC(=O)CCCCCNc1nc2cc(OCCN3CCOCC3)ccc2nc1CN.
What is the InChIKey of tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate?
The InChIKey is HFTDOQVEKPTLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O4/c1-25(2,3)34-23(31)7-5-4-6-10-27-24-22(18-26)28-20-9-8-19(17-21(20)29-24)33-16-13-30-11-14-32-15-12-30/h8-9,17H,4-7,10-16,18,26H2,1-3H3,(H,27,29).
What are the key properties of tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate?
tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate has a molecular weight of 473.62 g/mol, XLogP of 3.11, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate is sourced from PubChem (CID 160557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).