(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

C23H25FN4O — CID 55822160

IUPAC(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c1
InChIInChI=1S/C23H25FN4O/c1-15-5-4-6-18(11-15)14-27-7-9-28(10-8-27)23(29)20-12-19(24)13-21-22(20)26-17(3)16(2)25-21/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyXFMQGPVSYABDSA-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.65
Rot. Bonds3

About (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 55822160) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID55822160
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
SMILESCc1cccc(CN2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c1
InChIInChI=1S/C23H25FN4O/c1-15-5-4-6-18(11-15)14-27-7-9-28(10-8-27)23(29)20-12-19(24)13-21-22(20)26-17(3)16(2)25-21/h4-6,11-13H,7-10,14H2,1-3H3
InChIKeyXFMQGPVSYABDSA-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55824865
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 828785
(4-fluorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366010
1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521793
(6-fluoro-1H-benzimidazol-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 136545172
(1,5-dimethylpyrazol-4-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19478078
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(2,3-dichlorophenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325337
(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
CID 55903948
[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 31363447
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 134017425
2-(4-chlorophenoxy)-1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]ethanone
CID 55887011

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone (CID 55822160) is (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is Cc1cccc(CN2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c1.
What is the InChIKey of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is XFMQGPVSYABDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15-5-4-6-18(11-15)14-27-7-9-28(10-8-27)23(29)20-12-19(24)13-21-22(20)26-17(3)16(2)25-21/h4-6,11-13H,7-10,14H2,1-3H3.
What are the key properties of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone?
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 392.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55822160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).