1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone

C24H26FN3O2 — CID 22264666

IUPAC1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone
SMILESCC1CN(C(=O)COc2ccc3ccccc3n2)C(C)CN1Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2/c1-17-14-28(18(2)13-27(17)15-19-7-10-21(25)11-8-19)24(29)16-30-23-12-9-20-5-3-4-6-22(20)26-23/h3-12,17-18H,13-16H2,1-2H3
InChIKeyFCYFQFOXZFNMSJ-UHFFFAOYSA-N
MW407.49 g/mol
LogP3.87
Rot. Bonds5

About 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone

1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone (PubChem CID 22264666) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone.

Molecular Properties

Compound Name1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone
PubChem CID22264666
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone
SMILESCC1CN(C(=O)COc2ccc3ccccc3n2)C(C)CN1Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O2/c1-17-14-28(18(2)13-27(17)15-19-7-10-21(25)11-8-19)24(29)16-30-23-12-9-20-5-3-4-6-22(20)26-23/h3-12,17-18H,13-16H2,1-2H3
InChIKeyFCYFQFOXZFNMSJ-UHFFFAOYSA-N
XLogP3.87
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone?
The IUPAC name of 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone (CID 22264666) is 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone.
What is the SMILES notation for 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone?
The canonical SMILES for 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone is CC1CN(C(=O)COc2ccc3ccccc3n2)C(C)CN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone?
The InChIKey is FCYFQFOXZFNMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-17-14-28(18(2)13-27(17)15-19-7-10-21(25)11-8-19)24(29)16-30-23-12-9-20-5-3-4-6-22(20)26-23/h3-12,17-18H,13-16H2,1-2H3.
What are the key properties of 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone?
1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone has a molecular weight of 407.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-quinolin-2-yloxyethanone is sourced from PubChem (CID 22264666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).