methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate

C18H17N3O4 — CID 10830920

IUPACmethyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2cnc3ccc(N)cc3n2)cc1
InChIInChI=1S/C18H17N3O4/c1-11(18(22)23-2)24-13-4-6-14(7-5-13)25-17-10-20-15-8-3-12(19)9-16(15)21-17/h3-11H,19H2,1-2H3
InChIKeyWEGLCCUOFMSCQD-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.94
Rot. Bonds5

About methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate

methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate (PubChem CID 10830920) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
PubChem CID10830920
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(Oc2cnc3ccc(N)cc3n2)cc1
InChIInChI=1S/C18H17N3O4/c1-11(18(22)23-2)24-13-4-6-14(7-5-13)25-17-10-20-15-8-3-12(19)9-16(15)21-17/h3-11H,19H2,1-2H3
InChIKeyWEGLCCUOFMSCQD-UHFFFAOYSA-N
XLogP2.94
TPSA96.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(7-methoxyquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 10807054
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
CID 23325154
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
CID 86740146
methyl 2-[4-[(7-methoxy-1,2,4-benzotriazin-3-yl)oxy]phenoxy]propanoate
CID 11142795
2-(7-aminoquinolin-3-yl)oxypropanamide
CID 142157932
methyl (2S)-2-[4-[(3,6-dichloro-2-pyridinyl)oxy]phenoxy]propanoate
CID 2427450
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
methyl 2-[4-[(6-bromo-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 54135021
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate (CID 10830920) is methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate is COC(=O)C(C)Oc1ccc(Oc2cnc3ccc(N)cc3n2)cc1.
What is the InChIKey of methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate?
The InChIKey is WEGLCCUOFMSCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-11(18(22)23-2)24-13-4-6-14(7-5-13)25-17-10-20-15-8-3-12(19)9-16(15)21-17/h3-11H,19H2,1-2H3.
What are the key properties of methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate?
methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate has a molecular weight of 339.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(7-aminoquinoxalin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 10830920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).