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

C23H21Cl2N3O2 — CID 71461055

IUPAC[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C23H21Cl2N3O2/c1-15(2)27-11-12-28(20-6-4-3-5-19(20)27)23(29)17-14-26-10-9-21(17)30-22-13-16(24)7-8-18(22)25/h3-10,13-15H,11-12H2,1-2H3
InChIKeyQEXKLMHUBWUPMZ-UHFFFAOYSA-N
MW442.35 g/mol
LogP6.06
Rot. Bonds4

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

[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 71461055) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID71461055
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21
InChIInChI=1S/C23H21Cl2N3O2/c1-15(2)27-11-12-28(20-6-4-3-5-19(20)27)23(29)17-14-26-10-9-21(17)30-22-13-16(24)7-8-18(22)25/h3-10,13-15H,11-12H2,1-2H3
InChIKeyQEXKLMHUBWUPMZ-UHFFFAOYSA-N
XLogP6.06
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone with MolForge

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Related Compounds

[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-ethyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71459275
tert-butyl 4-[4-(2,5-dichlorophenoxy)pyridine-3-carbonyl]-2,3-dihydroquinoxaline-1-carboxylate
CID 141309045
(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
CID 53311952
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 46194296
[2-(2,5-dichlorophenoxy)-3-pyridinyl]-(3,4-dihydro-2H-quinoxalin-1-yl)methanone
CID 59294486
[2-(2,5-dichlorophenoxy)-5-fluoro-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 59294494
[4-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-1-methylpyrrol-2-yl] hydrogen carbonate
CID 118020996
ethyl 6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-3-methyl-1-benzofuran-2-carboxylate
CID 90644459
[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195706
[4-[(6-chloro-3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 162700769
methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
CID 156705084
(3-chloro-4-pyridinyl)-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 66484542

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone (CID 71461055) is [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone is CC(C)N1CCN(C(=O)c2cnccc2Oc2cc(Cl)ccc2Cl)c2ccccc21.
What is the InChIKey of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is QEXKLMHUBWUPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c1-15(2)27-11-12-28(20-6-4-3-5-19(20)27)23(29)17-14-26-10-9-21(17)30-22-13-16(24)7-8-18(22)25/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of [4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-(2,5-dichlorophenoxy)-3-pyridinyl]-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 442.35 g/mol, XLogP of 6.06, 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-propan-2-yl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 71461055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).