6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

C22H24FN3O2 — CID 72899590

IUPAC6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCN(CCOc3ccccc3)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C22H24FN3O2/c23-17-6-7-21-20(14-17)22(27)15-18(24-21)16-26-10-8-25(9-11-26)12-13-28-19-4-2-1-3-5-19/h1-7,14-15H,8-13,16H2,(H,24,27)
InChIKeyQMJXOUUPPSKEST-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.86
Rot. Bonds6

About 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one

6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72899590) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72899590
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCN(CCOc3ccccc3)CC2)[nH]c2ccc(F)cc12
InChIInChI=1S/C22H24FN3O2/c23-17-6-7-21-20(14-17)22(27)15-18(24-21)16-26-10-8-25(9-11-26)12-13-28-19-4-2-1-3-5-19/h1-7,14-15H,8-13,16H2,(H,24,27)
InChIKeyQMJXOUUPPSKEST-UHFFFAOYSA-N
XLogP2.86
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one (CID 72899590) is 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is O=c1cc(CN2CCN(CCOc3ccccc3)CC2)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is QMJXOUUPPSKEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-17-6-7-21-20(14-17)22(27)15-18(24-21)16-26-10-8-25(9-11-26)12-13-28-19-4-2-1-3-5-19/h1-7,14-15H,8-13,16H2,(H,24,27).
What are the key properties of 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 381.45 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[4-(2-phenoxyethyl)piperazin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72899590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).