[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

C22H20Cl2N4O2 — CID 108536485

IUPAC[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)cc2nc1C
InChIInChI=1S/C22H20Cl2N4O2/c1-13-14(2)26-20-11-15(3-6-19(20)25-13)21(29)27-7-9-28(10-8-27)22(30)17-12-16(23)4-5-18(17)24/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDWMHNBGUAIHRDC-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.15
Rot. Bonds2

About [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone

[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 108536485) has the molecular formula C22H20Cl2N4O2 and a molecular weight of 443.33 g/mol. Its IUPAC name is [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID108536485
Molecular FormulaC22H20Cl2N4O2
Molecular Weight443.33 g/mol
Exact Mass442.10
IUPAC Name[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)cc2nc1C
InChIInChI=1S/C22H20Cl2N4O2/c1-13-14(2)26-20-11-15(3-6-19(20)25-13)21(29)27-7-9-28(10-8-27)22(30)17-12-16(23)4-5-18(17)24/h3-6,11-12H,7-10H2,1-2H3
InChIKeyDWMHNBGUAIHRDC-UHFFFAOYSA-N
XLogP4.15
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
[4-(2-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108547358
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
[4-(6-chloro-2-methylquinoline-3-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413333
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 108543875

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone (CID 108536485) is [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is Cc1nc2ccc(C(=O)N3CCN(C(=O)c4cc(Cl)ccc4Cl)CC3)cc2nc1C.
What is the InChIKey of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is DWMHNBGUAIHRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N4O2/c1-13-14(2)26-20-11-15(3-6-19(20)25-13)21(29)27-7-9-28(10-8-27)22(30)17-12-16(23)4-5-18(17)24/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone?
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 443.33 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 108536485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).