tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate

C24H39N7O5 — CID 135276214

IUPACtert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate
SMILESCOc1cc2nc(NN)c(NCCCCNC(=O)OC(C)(C)C)nc2cc1OCCN1CCOCC1
InChIInChI=1S/C24H39N7O5/c1-24(2,3)36-23(32)27-8-6-5-7-26-21-22(30-25)29-17-15-19(33-4)20(16-18(17)28-21)35-14-11-31-9-12-34-13-10-31/h15-16H,5-14,25H2,1-4H3,(H,26,28)(H,27,32)(H,29,30)
InChIKeyFKUYLJWHDKJDIA-UHFFFAOYSA-N
MW505.62 g/mol
LogP2.35
Rot. Bonds12

About tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate

tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate (PubChem CID 135276214) has the molecular formula C24H39N7O5 and a molecular weight of 505.62 g/mol. Its IUPAC name is tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate
PubChem CID135276214
Molecular FormulaC24H39N7O5
Molecular Weight505.62 g/mol
Exact Mass505.30
IUPAC Nametert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate
SMILESCOc1cc2nc(NN)c(NCCCCNC(=O)OC(C)(C)C)nc2cc1OCCN1CCOCC1
InChIInChI=1S/C24H39N7O5/c1-24(2,3)36-23(32)27-8-6-5-7-26-21-22(30-25)29-17-15-19(33-4)20(16-18(17)28-21)35-14-11-31-9-12-34-13-10-31/h15-16H,5-14,25H2,1-4H3,(H,26,28)(H,27,32)(H,29,30)
InChIKeyFKUYLJWHDKJDIA-UHFFFAOYSA-N
XLogP2.35
TPSA145.12 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[[1-[2-amino-4-methoxy-5-(2-morpholin-4-ylethoxy)anilino]-2-[amino(methyl)amino]propylidene]amino]butyl]carbamate
CID 142406634
N-[5-[[7-methoxy-1-methyl-8-(2-morpholin-4-ylethoxy)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amino]pentyl]butanamide
CID 142745921
tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate
CID 160557752
methyl 2-amino-4-methoxy-5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoate
CID 164580250
tert-butyl N-[4-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]carbamate;hydroiodide
CID 110026996
tert-butyl N-[3-[[N'-methyl-N-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111887336
tert-butyl N-[4-[(7-methoxy-1,8-dimethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]butyl]carbamate
CID 135276476
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
4-[3-(2-chloro-6-methoxyquinolin-7-yl)oxypropyl]morpholine
CID 141264542
4-bromo-3,5-dimethoxy-N-(4-morpholin-4-ylbutyl)benzamide
CID 55742240
1-[3-[[6,7-dimethoxy-4-(2-morpholin-4-ylethylamino)quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117090671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate (CID 135276214) is tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate is COc1cc2nc(NN)c(NCCCCNC(=O)OC(C)(C)C)nc2cc1OCCN1CCOCC1.
What is the InChIKey of tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate?
The InChIKey is FKUYLJWHDKJDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N7O5/c1-24(2,3)36-23(32)27-8-6-5-7-26-21-22(30-25)29-17-15-19(33-4)20(16-18(17)28-21)35-14-11-31-9-12-34-13-10-31/h15-16H,5-14,25H2,1-4H3,(H,26,28)(H,27,32)(H,29,30).
What are the key properties of tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate?
tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate has a molecular weight of 505.62 g/mol, XLogP of 2.35, 12 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[3-hydrazinyl-6-methoxy-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]butyl]carbamate is sourced from PubChem (CID 135276214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).