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

C23H19Cl2N3O2 — CID 53311869

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2
InChIKeyGVSOSQXVSIDDOZ-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.81
Rot. Bonds4

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone (PubChem CID 53311869) has the molecular formula C23H19Cl2N3O2 and a molecular weight of 440.33 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
PubChem CID53311869
Molecular FormulaC23H19Cl2N3O2
Molecular Weight440.33 g/mol
Exact Mass439.09
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21
InChIInChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2
InChIKeyGVSOSQXVSIDDOZ-UHFFFAOYSA-N
XLogP5.81
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone (CID 53311869) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone is O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The InChIKey is GVSOSQXVSIDDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O2/c24-15-5-8-18(25)22(13-15)30-21-9-10-26-14-17(21)23(29)28-12-11-27(16-6-7-16)19-3-1-2-4-20(19)28/h1-5,8-10,13-14,16H,6-7,11-12H2.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone has a molecular weight of 440.33 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 53311869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).