tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate

C19H26ClN3O3 — CID 158488218

IUPACtert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
SMILESCOc1ccc2nc(Cl)c(NCCCCCC(=O)OC(C)(C)C)nc2c1
InChIInChI=1S/C19H26ClN3O3/c1-19(2,3)26-16(24)8-6-5-7-11-21-18-17(20)22-14-10-9-13(25-4)12-15(14)23-18/h9-10,12H,5-8,11H2,1-4H3,(H,21,23)
InChIKeyZGSGORWEOYQRKH-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.61
Rot. Bonds8

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

tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate (PubChem CID 158488218) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate.

Molecular Properties

Compound Nametert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
PubChem CID158488218
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Nametert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
SMILESCOc1ccc2nc(Cl)c(NCCCCCC(=O)OC(C)(C)C)nc2c1
InChIInChI=1S/C19H26ClN3O3/c1-19(2,3)26-16(24)8-6-5-7-11-21-18-17(20)22-14-10-9-13(25-4)12-15(14)23-18/h9-10,12H,5-8,11H2,1-4H3,(H,21,23)
InChIKeyZGSGORWEOYQRKH-UHFFFAOYSA-N
XLogP4.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-[(3,8-dichloro-7-methoxyquinoxalin-2-yl)amino]hexanoate
CID 158891299
N-butyl-3-chloro-7-methoxyquinoxalin-2-amine
CID 86055666
tert-butyl 6-[[3-(aminomethyl)-8-chloro-7-methoxyquinoxalin-2-yl]amino]hexanoate
CID 158891300
tert-butyl 6-[[3-(aminomethyl)-7-(2-morpholin-4-ylethoxy)quinoxalin-2-yl]amino]hexanoate
CID 160557752
tert-butyl 7-[[amino-(4-methoxyanilino)methylidene]amino]heptanoate
CID 111811354
6-[[7-methoxy-2-(trifluoromethyl)quinazolin-4-yl]amino]hexanoic acid
CID 21003748
N-[3-(hydroxyamino)-6-methoxyquinoxalin-2-yl]hydroxylamine
CID 135778350
tert-butyl N-[6-[2-[(6-methoxyquinolin-2-yl)methylidene]hydrazinyl]-6-oxohexyl]carbamate
CID 3418737
tert-butyl 6-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]hexanoate
CID 162164022
tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
CID 103257490
2,3-dichloro-N-(3-chloro-7-methoxyquinoxalin-2-yl)benzenesulfonamide
CID 86612114

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
The IUPAC name of tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate (CID 158488218) is tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate.
What is the SMILES notation for tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
The canonical SMILES for tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate is COc1ccc2nc(Cl)c(NCCCCCC(=O)OC(C)(C)C)nc2c1.
What is the InChIKey of tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
The InChIKey is ZGSGORWEOYQRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-19(2,3)26-16(24)8-6-5-7-11-21-18-17(20)22-14-10-9-13(25-4)12-15(14)23-18/h9-10,12H,5-8,11H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate?
tert-butyl 6-[(3-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate has a molecular weight of 379.89 g/mol, XLogP of 4.61, 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-chloro-7-methoxyquinoxalin-2-yl)amino]hexanoate is sourced from PubChem (CID 158488218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).