[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

C22H23FN4O3 — CID 112844489

IUPAC[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cc(F)cc4nccnc34)CC2)c1
InChIInChI=1S/C22H23FN4O3/c1-29-17-3-4-20(30-2)15(11-17)14-26-7-9-27(10-8-26)22(28)18-12-16(23)13-19-21(18)25-6-5-24-19/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyJVHBVJNNWXQXOC-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.74
Rot. Bonds5

About [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone (PubChem CID 112844489) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
PubChem CID112844489
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)c3cc(F)cc4nccnc34)CC2)c1
InChIInChI=1S/C22H23FN4O3/c1-29-17-3-4-20(30-2)15(11-17)14-26-7-9-27(10-8-26)22(28)18-12-16(23)13-19-21(18)25-6-5-24-19/h3-6,11-13H,7-10,14H2,1-2H3
InChIKeyJVHBVJNNWXQXOC-UHFFFAOYSA-N
XLogP2.74
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 37278947
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
(5-bromo-2-hydroxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 52892945
(2-aminophenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119946117
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 37279771
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methanone
CID 37280547
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(1H-indazol-7-yl)methanone
CID 37278337
(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
CID 55903948
[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 122147175

Frequently Asked Questions

What is the IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The IUPAC name of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone (CID 112844489) is [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone.
What is the SMILES notation for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The canonical SMILES for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone is COc1ccc(OC)c(CN2CCN(C(=O)c3cc(F)cc4nccnc34)CC2)c1.
What is the InChIKey of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
The InChIKey is JVHBVJNNWXQXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-29-17-3-4-20(30-2)15(11-17)14-26-7-9-27(10-8-26)22(28)18-12-16(23)13-19-21(18)25-6-5-24-19/h3-6,11-13H,7-10,14H2,1-2H3.
What are the key properties of [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone?
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone has a molecular weight of 410.45 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone is sourced from PubChem (CID 112844489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).