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

C22H23FN4O — CID 55824865

IUPAC(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c1
InChIInChI=1S/C22H23FN4O/c1-14-5-4-6-18(11-14)26-7-9-27(10-8-26)22(28)19-12-17(23)13-20-21(19)25-16(3)15(2)24-20/h4-6,11-13H,7-10H2,1-3H3
InChIKeySHHNLBINFYMSEL-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.66
Rot. Bonds2

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

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (PubChem CID 55824865) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
PubChem CID55824865
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3cc(F)cc4nc(C)c(C)nc34)CC2)c1
InChIInChI=1S/C22H23FN4O/c1-14-5-4-6-18(11-14)26-7-9-27(10-8-26)22(28)19-12-17(23)13-20-21(19)25-16(3)15(2)24-20/h4-6,11-13H,7-10H2,1-3H3
InChIKeySHHNLBINFYMSEL-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55822160
7-fluoro-2,3-dimethyl-N-(3-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 55877092
(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
CID 55903948
1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521793
(2,4-dimethylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18120424
(2-methyl-1H-benzimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110701045
[4-(3-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113079249
[4-(3-methylphenyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609903
(3,4-difluorophenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 17465933
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110766171
(3-amino-2-methylphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 28723176
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108885668

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone (CID 55824865) is (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(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)piperazin-1-yl]methanone?
The InChIKey is SHHNLBINFYMSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-14-5-4-6-18(11-14)26-7-9-27(10-8-26)22(28)19-12-17(23)13-20-21(19)25-16(3)15(2)24-20/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of (7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone?
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 378.45 g/mol, XLogP of 3.66, 2 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)piperazin-1-yl]methanone is sourced from PubChem (CID 55824865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).