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

C23H18Cl3N3O2 — CID 53311952

IUPAC(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C23H18Cl3N3O2/c24-14-2-6-19-20(11-14)28(16-3-4-16)9-10-29(19)23(30)17-13-27-8-7-21(17)31-22-12-15(25)1-5-18(22)26/h1-2,5-8,11-13,16H,3-4,9-10H2
InChIKeyZRIYCOHXFMTRIH-UHFFFAOYSA-N
MW474.78 g/mol
LogP6.46
Rot. Bonds4

About (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone

(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone (PubChem CID 53311952) has the molecular formula C23H18Cl3N3O2 and a molecular weight of 474.78 g/mol. Its IUPAC name is (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
PubChem CID53311952
Molecular FormulaC23H18Cl3N3O2
Molecular Weight474.78 g/mol
Exact Mass473.05
IUPAC Name(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone
SMILESO=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2cc(Cl)ccc21
InChIInChI=1S/C23H18Cl3N3O2/c24-14-2-6-19-20(11-14)28(16-3-4-16)9-10-29(19)23(30)17-13-27-8-7-21(17)31-22-12-15(25)1-5-18(22)26/h1-2,5-8,11-13,16H,3-4,9-10H2
InChIKeyZRIYCOHXFMTRIH-UHFFFAOYSA-N
XLogP6.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]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
[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
ethyl 6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-3-methyl-1-benzofuran-2-carboxylate
CID 90644459
methyl 3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-4-methylbenzoate
CID 156705084
[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
[4-(1,3-benzothiazol-6-yloxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626560
ethyl 5-[[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]benzoyl]amino]-1,3,4-thiadiazole-2-carboxylate
CID 53311182
methyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]-2-methoxyacetate
CID 175119495
tert-butyl 4-[2-[2-[2-[2-[2-[2-[3-[2,5-dichloro-4-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]propanoyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butanoate
CID 174777925
[3-(2,5-dichlorophenoxy)-4-pyridinyl]-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 46195706
ethoxymethyl 2-[3-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]phenyl]acetate
CID 156705107

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The IUPAC name of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone (CID 53311952) is (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The canonical SMILES for (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone is O=C(c1cnccc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2cc(Cl)ccc21.
What is the InChIKey of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
The InChIKey is ZRIYCOHXFMTRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O2/c24-14-2-6-19-20(11-14)28(16-3-4-16)9-10-29(19)23(30)17-13-27-8-7-21(17)31-22-12-15(25)1-5-18(22)26/h1-2,5-8,11-13,16H,3-4,9-10H2.
What are the key properties of (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone?
(6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone has a molecular weight of 474.78 g/mol, XLogP of 6.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,5-dichlorophenoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 53311952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).