tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate

C22H25N3O4 — CID 86714012

IUPACtert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3ccc(OCCO)cc3n2)cc1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25(4)16-7-5-15(6-8-16)20-14-23-18-10-9-17(28-12-11-26)13-19(18)24-20/h5-10,13-14,26H,11-12H2,1-4H3
InChIKeyXDJLVGZZHSIZQL-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.04
Rot. Bonds5

About tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate

tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate (PubChem CID 86714012) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate
PubChem CID86714012
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Nametert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3ccc(OCCO)cc3n2)cc1
InChIInChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25(4)16-7-5-15(6-8-16)20-14-23-18-10-9-17(28-12-11-26)13-19(18)24-20/h5-10,13-14,26H,11-12H2,1-4H3
InChIKeyXDJLVGZZHSIZQL-UHFFFAOYSA-N
XLogP4.04
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-isoquinolin-3-ylphenyl)-N-methylcarbamate
CID 67301164
tert-butyl N-[4-[7-(1,3-dibutoxypropan-2-yloxy)quinolin-2-yl]phenyl]-N-methylcarbamate
CID 118657084
tert-butyl N-[4-[5-(3-iodosulfanyloxypropoxy)-1,3-benzoxazol-2-yl]phenyl]-N-methylcarbamate
CID 144970931
tert-butyl N-[2-[4-(7-ethoxy-4-methylquinolin-2-yl)phenoxy]ethyl]-N-methylcarbamate
CID 177173321
tert-butyl N-methyl-N-[4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]carbamate
CID 68614271
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
tert-butyl N-(4-butoxy-2-chlorophenyl)-N-methylcarbamate
CID 89451863
tert-butyl N-[3-(2-cyanoquinolin-6-yl)oxypropyl]-N-methylcarbamate
CID 58797775
tert-butyl N-[4-[6-(1-butoxyethyl)-1,3-benzothiazol-2-yl]phenyl]-N-methylcarbamate
CID 155151124
tert-butyl N-[5-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]-2-pyridinyl]carbamate
CID 71526371
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
CID 123401637

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate (CID 86714012) is tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)c1ccc(-c2cnc3ccc(OCCO)cc3n2)cc1.
What is the InChIKey of tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate?
The InChIKey is XDJLVGZZHSIZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-22(2,3)29-21(27)25(4)16-7-5-15(6-8-16)20-14-23-18-10-9-17(28-12-11-26)13-19(18)24-20/h5-10,13-14,26H,11-12H2,1-4H3.
What are the key properties of tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate?
tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate has a molecular weight of 395.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[7-(2-hydroxyethoxy)quinoxalin-2-yl]phenyl]-N-methylcarbamate is sourced from PubChem (CID 86714012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).