2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

C22H22ClN3O5 — CID 57291337

IUPAC2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCCC=C(COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)ON
InChIInChI=1S/C22H22ClN3O5/c1-3-4-18(31-24)13-28-22(27)14(2)29-16-6-8-17(9-7-16)30-21-12-25-20-11-15(23)5-10-19(20)26-21/h4-12,14H,3,13,24H2,1-2H3
InChIKeyFKMDPOHOBKTNOX-UHFFFAOYSA-N
MW443.89 g/mol
LogP4.57
Rot. Bonds9

About 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate

2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate (PubChem CID 57291337) has the molecular formula C22H22ClN3O5 and a molecular weight of 443.89 g/mol. Its IUPAC name is 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate.

Molecular Properties

Compound Name2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
PubChem CID57291337
Molecular FormulaC22H22ClN3O5
Molecular Weight443.89 g/mol
Exact Mass443.12
IUPAC Name2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
SMILESCCC=C(COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)ON
InChIInChI=1S/C22H22ClN3O5/c1-3-4-18(31-24)13-28-22(27)14(2)29-16-6-8-17(9-7-16)30-21-12-25-20-11-15(23)5-10-19(20)26-21/h4-12,14H,3,13,24H2,1-2H3
InChIKeyFKMDPOHOBKTNOX-UHFFFAOYSA-N
XLogP4.57
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.89
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
ethyl 2-[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoyloxy]-3-methylbut-3-enoate
CID 57418245
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate
CID 57226897
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid;ethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 45358785
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
2-(methoxycarbonylamino)ethyl 2-[4-(6-methylquinoxalin-2-yl)oxyphenoxy]propanoate
CID 23325154
methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
CID 18631258
N-(6-amino-5-nitro-2-pyridinyl)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanamide
CID 141423396

Frequently Asked Questions

What is the IUPAC name of 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
The IUPAC name of 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate (CID 57291337) is 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate.
What is the SMILES notation for 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
The canonical SMILES for 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is CCC=C(COC(=O)C(C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)ON.
What is the InChIKey of 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
The InChIKey is FKMDPOHOBKTNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O5/c1-3-4-18(31-24)13-28-22(27)14(2)29-16-6-8-17(9-7-16)30-21-12-25-20-11-15(23)5-10-19(20)26-21/h4-12,14H,3,13,24H2,1-2H3.
What are the key properties of 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate?
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate has a molecular weight of 443.89 g/mol, XLogP of 4.57, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate is sourced from PubChem (CID 57291337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).