(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone

C22H20F2N4O2 — CID 55586065

IUPAC(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2nc1C
InChIInChI=1S/C22H20F2N4O2/c1-13-14(2)26-20-12-16(4-6-19(20)25-13)22(30)28-9-7-27(8-10-28)21(29)15-3-5-17(23)18(24)11-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUYZMUPVRPRBXIF-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.12
Rot. Bonds2

About (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone (PubChem CID 55586065) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
PubChem CID55586065
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2nc1C
InChIInChI=1S/C22H20F2N4O2/c1-13-14(2)26-20-12-16(4-6-19(20)25-13)22(30)28-9-7-27(8-10-28)21(29)15-3-5-17(23)18(24)11-15/h3-6,11-12H,7-10H2,1-2H3
InChIKeyUYZMUPVRPRBXIF-UHFFFAOYSA-N
XLogP3.12
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.12
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
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108536485
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(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-chloro-6-fluorobenzoyl)-1,4-diazepan-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108547358
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
(2,3-dimethylquinoxalin-6-yl)-[4-(sulfanylamino)piperidin-1-yl]methanone
CID 163968262
[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone (CID 55586065) is (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)cc2nc1C.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone?
The InChIKey is UYZMUPVRPRBXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-13-14(2)26-20-12-16(4-6-19(20)25-13)22(30)28-9-7-27(8-10-28)21(29)15-3-5-17(23)18(24)11-15/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone has a molecular weight of 410.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55586065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).