2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate

C22H23N3O6 — CID 23325154

IUPAC2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCOC(=O)NCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(C)ccc3n2)cc1
InChIInChI=1S/C22H23N3O6/c1-14-4-9-18-19(12-14)24-13-20(25-18)31-17-7-5-16(6-8-17)30-15(2)21(26)29-11-10-23-22(27)28-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,23,27)
InChIKeyPFPKGBGETXKDER-UHFFFAOYSA-N
MW425.44 g/mol
LogP3.40
Rot. Bonds8

About 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate

2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate (PubChem CID 23325154) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Name2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
PubChem CID23325154
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCOC(=O)NCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(C)ccc3n2)cc1
InChIInChI=1S/C22H23N3O6/c1-14-4-9-18-19(12-14)24-13-20(25-18)31-17-7-5-16(6-8-17)30-15(2)21(26)29-11-10-23-22(27)28-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,23,27)
InChIKeyPFPKGBGETXKDER-UHFFFAOYSA-N
XLogP3.40
TPSA108.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
CID 10830920
2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
1-(methoxycarbonylamino)propan-2-yl 2-[4-[[5-[chloro(difluoro)methyl]-2-pyridinyl]oxy]phenoxy]propanoate
CID 70454566
propyl 2-[4-(6-fluoroquinolin-2-yl)oxyphenoxy]propanoate
CID 12882387
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate (CID 23325154) is 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate is COC(=O)NCCOC(=O)C(C)Oc1ccc(Oc2cnc3cc(C)ccc3n2)cc1.
What is the InChIKey of 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate?
The InChIKey is PFPKGBGETXKDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-14-4-9-18-19(12-14)24-13-20(25-18)31-17-7-5-16(6-8-17)30-15(2)21(26)29-11-10-23-22(27)28-3/h4-9,12-13,15H,10-11H2,1-3H3,(H,23,27).
What are the key properties of 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate?
2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate has a molecular weight of 425.44 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 23325154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).