1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one

C24H26N4O2 — CID 48866719

IUPAC1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)CCc4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C24H26N4O2/c1-17-18(2)26-22-16-20(9-10-21(22)25-17)24(30)28-14-12-27(13-15-28)23(29)11-8-19-6-4-3-5-7-19/h3-7,9-10,16H,8,11-15H2,1-2H3
InChIKeyHQWPVDRUDRPJSR-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.16
Rot. Bonds4

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

1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 48866719) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID48866719
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCc1nc2ccc(C(=O)N3CCN(C(=O)CCc4ccccc4)CC3)cc2nc1C
InChIInChI=1S/C24H26N4O2/c1-17-18(2)26-22-16-20(9-10-21(22)25-17)24(30)28-14-12-27(13-15-28)23(29)11-8-19-6-4-3-5-7-19/h3-7,9-10,16H,8,11-15H2,1-2H3
InChIKeyHQWPVDRUDRPJSR-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenoxypropan-1-one
CID 108536488
1-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866980
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
1-[4-(1,3-benzoxazole-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802742
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 108536427
1-(4-benzoylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 18121411
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364923
1-[4-(4-methylsulfanylbenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110802741

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 48866719) is 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is Cc1nc2ccc(C(=O)N3CCN(C(=O)CCc4ccccc4)CC3)cc2nc1C.
What is the InChIKey of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is HQWPVDRUDRPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17-18(2)26-22-16-20(9-10-21(22)25-17)24(30)28-14-12-27(13-15-28)23(29)11-8-19-6-4-3-5-7-19/h3-7,9-10,16H,8,11-15H2,1-2H3.
What are the key properties of 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 402.50 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 48866719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).