4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate

C24H25ClN2O4 — CID 57226897

IUPAC4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate
SMILESCC(C=CCOC(=O)C(C)(C)C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C24H25ClN2O4/c1-16(6-5-13-29-23(28)24(2,3)4)30-18-8-10-19(11-9-18)31-22-15-26-21-14-17(25)7-12-20(21)27-22/h5-12,14-16H,13H2,1-4H3
InChIKeyHDUIOJJKFVYKQH-UHFFFAOYSA-N
MW440.93 g/mol
LogP5.99
Rot. Bonds7

About 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate

4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate (PubChem CID 57226897) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate
PubChem CID57226897
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate
SMILESCC(C=CCOC(=O)C(C)(C)C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C24H25ClN2O4/c1-16(6-5-13-29-23(28)24(2,3)4)30-18-8-10-19(11-9-18)31-22-15-26-21-14-17(25)7-12-20(21)27-22/h5-12,14-16H,13H2,1-4H3
InChIKeyHDUIOJJKFVYKQH-UHFFFAOYSA-N
XLogP5.99
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-aminooxypent-2-enyl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 57291337
2-(prop-1-enylamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 91372945
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
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
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
CID 10592179
thiolan-3-yl 2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
CID 19022198
2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
methyl (2S)-2-[[2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]acetyl]amino]-4-methylpentanoate
CID 18631258
4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 134106584
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
CID 11820935

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate?
The IUPAC name of 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate (CID 57226897) is 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate.
What is the SMILES notation for 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate?
The canonical SMILES for 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate is CC(C=CCOC(=O)C(C)(C)C)Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate?
The InChIKey is HDUIOJJKFVYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-16(6-5-13-29-23(28)24(2,3)4)30-18-8-10-19(11-9-18)31-22-15-26-21-14-17(25)7-12-20(21)27-22/h5-12,14-16H,13H2,1-4H3.
What are the key properties of 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate?
4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate has a molecular weight of 440.93 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate is sourced from PubChem (CID 57226897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).