[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone

C20H15Cl2N3O2 — CID 59294486

IUPAC[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESO=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCNc2ccccc21
InChIInChI=1S/C20H15Cl2N3O2/c21-13-7-8-15(22)18(12-13)27-19-14(4-3-9-24-19)20(26)25-11-10-23-16-5-1-2-6-17(16)25/h1-9,12,23H,10-11H2
InChIKeyVBHFZJCVDBJSSL-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.25
Rot. Bonds3

About [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone

[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone (PubChem CID 59294486) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
PubChem CID59294486
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
SMILESO=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCNc2ccccc21
InChIInChI=1S/C20H15Cl2N3O2/c21-13-7-8-15(22)18(12-13)27-19-14(4-3-9-24-19)20(26)25-11-10-23-16-5-1-2-6-17(16)25/h1-9,12,23H,10-11H2
InChIKeyVBHFZJCVDBJSSL-UHFFFAOYSA-N
XLogP5.25
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone with MolForge

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Related Compounds

[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 46194296
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46194987
(2-methyl-3-pyridinyl)-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)methanone
CID 115311089
[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59294494
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459275
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71461055
tert-butyl 4-[4-(2,5-dichlorophenoxy)pyridine-3-carbonyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 141309045
2-(2,5-dichlorophenoxy)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 46194702
[2-(2,4-dichlorophenoxy)-3-pyridinyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119493762
2-(4-chloro-2-methoxyphenoxy)pyridine-3-carboxylic acid
CID 67533760
[4-[2,5-dichloro-4-(3-pyridin-1-ium-1-ylpropyl)phenoxy]-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 123497305
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(2,4-dichlorophenoxy)-3-pyridinyl]methanone
CID 119639378

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The IUPAC name of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone (CID 59294486) is [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone.
What is the SMILES notation for [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The canonical SMILES for [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone is O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCNc2ccccc21.
What is the InChIKey of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
The InChIKey is VBHFZJCVDBJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c21-13-7-8-15(22)18(12-13)27-19-14(4-3-9-24-19)20(26)25-11-10-23-16-5-1-2-6-17(16)25/h1-9,12,23H,10-11H2.
What are the key properties of [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone?
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone has a molecular weight of 400.27 g/mol, XLogP of 5.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone is sourced from PubChem (CID 59294486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).