(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone

C21H22N4O — CID 9032564

IUPAC(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C21H22N4O/c1-15-16(2)23-20-14-17(8-9-19(20)22-15)21(26)25-12-10-24(11-13-25)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3
InChIKeyOKXOFMZFMZNBEV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.21
Rot. Bonds2

About (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone

(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 9032564) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID9032564
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C21H22N4O/c1-15-16(2)23-20-14-17(8-9-19(20)22-15)21(26)25-12-10-24(11-13-25)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3
InChIKeyOKXOFMZFMZNBEV-UHFFFAOYSA-N
XLogP3.21
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
(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
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108536485
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone (CID 9032564) is (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone is Cc1nc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is OKXOFMZFMZNBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15-16(2)23-20-14-17(8-9-19(20)22-15)21(26)25-12-10-24(11-13-25)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone?
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 9032564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).