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

C22H19Cl2N3O2 — CID 71459275

IUPAC[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3
InChIKeyBBXCEBZWMOSRMC-UHFFFAOYSA-N
MW428.32 g/mol
LogP5.67
Rot. Bonds4

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

[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 71459275) has the molecular formula C22H19Cl2N3O2 and a molecular weight of 428.32 g/mol. Its IUPAC name is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID71459275
Molecular FormulaC22H19Cl2N3O2
Molecular Weight428.32 g/mol
Exact Mass427.09
IUPAC Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3
InChIKeyBBXCEBZWMOSRMC-UHFFFAOYSA-N
XLogP5.67
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.32
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 71459275) is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone is CCN1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21.
What is the InChIKey of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is BBXCEBZWMOSRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O2/c1-2-26-11-12-27(19-6-4-3-5-18(19)26)22(28)16-14-25-10-9-20(16)29-21-13-15(23)7-8-17(21)24/h3-10,13-14H,2,11-12H2,1H3.
What are the key properties of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 428.32 g/mol, XLogP of 5.67, 4 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-ethyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 71459275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).