(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone

C21H21N5O2 — CID 108533154

IUPAC(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2nc1C
InChIInChI=1S/C21H21N5O2/c1-14-15(2)24-19-12-16(5-6-18(19)23-14)20(27)25-8-10-26(11-9-25)21(28)17-4-3-7-22-13-17/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGMGOIDLLCRFUAY-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.24
Rot. Bonds2

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

(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 108533154) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID108533154
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2nc1C
InChIInChI=1S/C21H21N5O2/c1-14-15(2)24-19-12-16(5-6-18(19)23-14)20(27)25-8-10-26(11-9-25)21(28)17-4-3-7-22-13-17/h3-7,12-13H,8-11H2,1-2H3
InChIKeyGMGOIDLLCRFUAY-UHFFFAOYSA-N
XLogP2.24
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
2,3-dimethyl-N'-(pyridine-3-carbonyl)quinoxaline-6-carbohydrazide
CID 39966213
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
(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
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108536485
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone (CID 108533154) is (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone is Cc1nc2ccc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is GMGOIDLLCRFUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-15(2)24-19-12-16(5-6-18(19)23-14)20(27)25-8-10-26(11-9-25)21(28)17-4-3-7-22-13-17/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone?
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 108533154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).