2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone

C17H19ClN4O2 — CID 108569331

IUPAC2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)CCl)CC3)cc2nc1C
InChIInChI=1S/C17H19ClN4O2/c1-11-12(2)20-15-9-13(3-4-14(15)19-11)17(24)22-7-5-21(6-8-22)16(23)10-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKARJTNUFARFBCG-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.77
Rot. Bonds2

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

2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108569331) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
PubChem CID108569331
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)CCl)CC3)cc2nc1C
InChIInChI=1S/C17H19ClN4O2/c1-11-12(2)20-15-9-13(3-4-14(15)19-11)17(24)22-7-5-21(6-8-22)16(23)10-18/h3-4,9H,5-8,10H2,1-2H3
InChIKeyKARJTNUFARFBCG-UHFFFAOYSA-N
XLogP1.77
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
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
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
tert-butyl N-[2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532861
(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
[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-phenoxypropan-1-one
CID 108536488
(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-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazine-1-carbonyl]phenyl] ethyl carbonate
CID 108929563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone (CID 108569331) is 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone is Cc1nc2ccc(C(=O)N3CCN(C(=O)CCl)CC3)cc2nc1C.
What is the InChIKey of 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KARJTNUFARFBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-12(2)20-15-9-13(3-4-14(15)19-11)17(24)22-7-5-21(6-8-22)16(23)10-18/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone?
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 346.82 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108569331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).