[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone

C23H19Cl2N3O2 — CID 71453901

IUPAC[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C23H19Cl2N3O2/c1-2-11-27-12-13-28(20-6-4-3-5-19(20)27)23(29)17-15-26-10-9-21(17)30-22-14-16(24)7-8-18(22)25/h2-10,14-15H,1,11-13H2
InChIKeyKQHRXHIZWNAAIR-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.83
Rot. Bonds5

About [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone

[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 71453901) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID71453901
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C23H19Cl2N3O2/c1-2-11-27-12-13-28(20-6-4-3-5-19(20)27)23(29)17-15-26-10-9-21(17)30-22-14-16(24)7-8-18(22)25/h2-10,14-15H,1,11-13H2
InChIKeyKQHRXHIZWNAAIR-UHFFFAOYSA-N
XLogP5.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 71453901) is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone is C=CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21.
What is the InChIKey of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is KQHRXHIZWNAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c1-2-11-27-12-13-28(20-6-4-3-5-19(20)27)23(29)17-15-26-10-9-21(17)30-22-14-16(24)7-8-18(22)25/h2-10,14-15H,1,11-13H2.
What are the key properties of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 440.33 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 71453901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).