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

C25H23Cl2N3O2 — CID 71461054

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone
SMILESCCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c1-2-16-13-20(27)24(14-19(16)26)32-23-9-10-28-15-18(23)25(31)30-12-11-29(17-7-8-17)21-5-3-4-6-22(21)30/h3-6,9-10,13-15,17H,2,7-8,11-12H2,1H3
InChIKeyPVTBMUVMEDUPKW-UHFFFAOYSA-N
MW468.38 g/mol
LogP6.37
Rot. Bonds5

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

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone (PubChem CID 71461054) has the molecular formula C25H23Cl2N3O2 and a molecular weight of 468.38 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone
PubChem CID71461054
Molecular FormulaC25H23Cl2N3O2
Molecular Weight468.38 g/mol
Exact Mass467.12
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone
SMILESCCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl
InChIInChI=1S/C25H23Cl2N3O2/c1-2-16-13-20(27)24(14-19(16)26)32-23-9-10-28-15-18(23)25(31)30-12-11-29(17-7-8-17)21-5-3-4-6-22(21)30/h3-6,9-10,13-15,17H,2,7-8,11-12H2,1H3
InChIKeyPVTBMUVMEDUPKW-UHFFFAOYSA-N
XLogP6.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-Cyclopropyl-3,4-dihydro-2H-quinoxalin-1-yl)(4-(2,5-dichloro-phenoxy)-pyridin-3-yl)-methanone
CID 53311869
[2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 46195848
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanone
CID 71455634
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-methylphenoxy)-3-pyridinyl]methanone
CID 71462787
[2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(4-methyl-3,4-dihydro-2H-quinoxalin-1-yl)-methanone
CID 45273910
[4-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 53311781
(4-Cyclobutyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
CID 71450252
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-phenoxy-3-pyridinyl)methanone
CID 71452075
[4-(2,5-Dichlorophenoxy)-3-pyridinyl]-(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 71452077
[4-(2,5-Dichlorophenoxy)-3-pyridinyl]-(4-prop-2-enyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71453901
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(4-methylphenoxy)-3-pyridinyl]methanone
CID 71457418
[4-(2-Chlorophenoxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459273

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone (CID 71461054) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone is CCc1cc(Cl)c(Oc2ccncc2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone?
The InChIKey is PVTBMUVMEDUPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N3O2/c1-2-16-13-20(27)24(14-19(16)26)32-23-9-10-28-15-18(23)25(31)30-12-11-29(17-7-8-17)21-5-3-4-6-22(21)30/h3-6,9-10,13-15,17H,2,7-8,11-12H2,1H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone has a molecular weight of 468.38 g/mol, XLogP of 6.37, 5 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-dichloro-4-ethylphenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 71461054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).