tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate

C19H25Cl2N3O3 — CID 158891299

IUPACtert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
SMILESCOc1ccc2nc(Cl)c(NCCCCCC(=O)OC(C)(C)C)nc2c1Cl
InChIInChI=1S/C19H25Cl2N3O3/c1-19(2,3)27-14(25)8-6-5-7-11-22-18-17(21)23-12-9-10-13(26-4)15(20)16(12)24-18/h9-10H,5-8,11H2,1-4H3,(H,22,24)
InChIKeyAELXXKMANAVFCM-UHFFFAOYSA-N
MW414.33 g/mol
LogP5.26
Rot. Bonds8

About tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate

tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate (PubChem CID 158891299) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate.

Molecular Properties

Compound Nametert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
PubChem CID158891299
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Nametert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
SMILESCOc1ccc2nc(Cl)c(NCCCCCC(=O)OC(C)(C)C)nc2c1Cl
InChIInChI=1S/C19H25Cl2N3O3/c1-19(2,3)27-14(25)8-6-5-7-11-22-18-17(21)23-12-9-10-13(26-4)15(20)16(12)24-18/h9-10H,5-8,11H2,1-4H3,(H,22,24)
InChIKeyAELXXKMANAVFCM-UHFFFAOYSA-N
XLogP5.26
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.33
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate with MolForge

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Related Compounds

tert-butyl 6-[[3-(aminomethyl)-8-chloro-7-methoxyquinoxalin-2-yl]amino]hexanoate
CID 158891300
tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
CID 158488218
tert-butyl 6-[(6-methoxy-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 160504434
6-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]hexanoic acid
CID 22693111
methyl 6-[(5-chloro-2-methoxypyrimidin-4-yl)amino]hexanoate
CID 80753174
tert-butyl 6-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 162164022
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
tert-butyl 14-(2-chloroethylamino)tetradecanoate
CID 178028666
tert-butyl 6-[2-methoxy-5-(4-methoxybenzoyl)phenyl]hexanoate
CID 25181169
methyl 6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoate
CID 115323388
methyl 9-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]nonanoate
CID 90307656
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
The IUPAC name of tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate (CID 158891299) is tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate.
What is the SMILES notation for tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
The canonical SMILES for tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate is COc1ccc2nc(Cl)c(NCCCCCC(=O)OC(C)(C)C)nc2c1Cl.
What is the InChIKey of tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
The InChIKey is AELXXKMANAVFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O3/c1-19(2,3)27-14(25)8-6-5-7-11-22-18-17(21)23-12-9-10-13(26-4)15(20)16(12)24-18/h9-10H,5-8,11H2,1-4H3,(H,22,24).
What are the key properties of tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate has a molecular weight of 414.33 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate is sourced from PubChem (CID 158891299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).