ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate

C19H18ClN3O4 — CID 13323145

IUPACethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(/N=c2\cnc3cc(Cl)ccc3n2O)cc1
InChIInChI=1S/C19H18ClN3O4/c1-3-26-19(24)12(2)27-15-7-5-14(6-8-15)22-18-11-21-16-10-13(20)4-9-17(16)23(18)25/h4-12,25H,3H2,1-2H3/b22-18+
InChIKeyUSWYEZKHRREPCK-RELWKKBWSA-N
MW387.82 g/mol
LogP3.49
Rot. Bonds5

About ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate

ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate (PubChem CID 13323145) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate
PubChem CID13323145
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Nameethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(/N=c2\cnc3cc(Cl)ccc3n2O)cc1
InChIInChI=1S/C19H18ClN3O4/c1-3-26-19(24)12(2)27-15-7-5-14(6-8-15)22-18-11-21-16-10-13(20)4-9-17(16)23(18)25/h4-12,25H,3H2,1-2H3/b22-18+
InChIKeyUSWYEZKHRREPCK-RELWKKBWSA-N
XLogP3.49
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[4-[(7-chlorocinnolin-3-yl)-methylamino]phenoxy]propanoate
CID 70481100
ethyl 2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenoxy]propanoate
CID 5379092
2-[4-(1-ethoxy-1-oxopropan-2-yl)oxyphenoxy]propanoic acid
CID 90478258
ethyl 2-[4-[(3-chloro-5-methyl-2-pyridinyl)oxy]phenoxy]propanoate
CID 67661567
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate;propanoic acid
CID 175014262
2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoic acid;ethyl 2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]propanoate
CID 67616847
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
2-[4-[(7-chloroquinolin-3-yl)-methylamino]phenoxy]propanamide
CID 57126589
CID 59993707
CID 59993707
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid;ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 45358785

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate (CID 13323145) is ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(/N=c2\cnc3cc(Cl)ccc3n2O)cc1.
What is the InChIKey of ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate?
The InChIKey is USWYEZKHRREPCK-RELWKKBWSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-3-26-19(24)12(2)27-15-7-5-14(6-8-15)22-18-11-21-16-10-13(20)4-9-17(16)23(18)25/h4-12,25H,3H2,1-2H3/b22-18+.
What are the key properties of ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate?
ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate has a molecular weight of 387.82 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(6-chloro-1-hydroxyquinoxalin-2-ylidene)amino]phenoxy]propanoate is sourced from PubChem (CID 13323145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).