(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone

C15H18N4O — CID 39283599

IUPAC(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
SMILESCc1nc2ccc(C(=O)N3CCNCC3)cc2nc1C
InChIInChI=1S/C15H18N4O/c1-10-11(2)18-14-9-12(3-4-13(14)17-10)15(20)19-7-5-16-6-8-19/h3-4,9,16H,5-8H2,1-2H3
InChIKeyHQJRTAUUQQVLLA-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.29
Rot. Bonds1

About (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone

(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone (PubChem CID 39283599) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
PubChem CID39283599
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
SMILESCc1nc2ccc(C(=O)N3CCNCC3)cc2nc1C
InChIInChI=1S/C15H18N4O/c1-10-11(2)18-14-9-12(3-4-13(14)17-10)15(20)19-7-5-16-6-8-19/h3-4,9,16H,5-8H2,1-2H3
InChIKeyHQJRTAUUQQVLLA-UHFFFAOYSA-N
XLogP1.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108536485
(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-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(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
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866719
3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 72839296
[3-(piperazine-1-carbonyl)phenyl]-piperazin-1-ylmethanone
CID 54070343

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone?
The IUPAC name of (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone (CID 39283599) is (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone is Cc1nc2ccc(C(=O)N3CCNCC3)cc2nc1C.
What is the InChIKey of (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone?
The InChIKey is HQJRTAUUQQVLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-11(2)18-14-9-12(3-4-13(14)17-10)15(20)19-7-5-16-6-8-19/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone?
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone has a molecular weight of 270.34 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 39283599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).