1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one

C24H26FN3O — CID 15541847

IUPAC1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one
SMILESCc1ccc2cccc(N3CCN(CCCC(=O)c4ccc(F)cc4)CC3)c2n1
InChIInChI=1S/C24H26FN3O/c1-18-7-8-20-4-2-5-22(24(20)26-18)28-16-14-27(15-17-28)13-3-6-23(29)19-9-11-21(25)12-10-19/h2,4-5,7-12H,3,6,13-17H2,1H3
InChIKeyHAYMWIJSIJKEBS-UHFFFAOYSA-N
MW391.49 g/mol
LogP4.47
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one

1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one (PubChem CID 15541847) has the molecular formula C24H26FN3O and a molecular weight of 391.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one
PubChem CID15541847
Molecular FormulaC24H26FN3O
Molecular Weight391.49 g/mol
Exact Mass391.21
IUPAC Name1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one
SMILESCc1ccc2cccc(N3CCN(CCCC(=O)c4ccc(F)cc4)CC3)c2n1
InChIInChI=1S/C24H26FN3O/c1-18-7-8-20-4-2-5-22(24(20)26-18)28-16-14-27(15-17-28)13-3-6-23(29)19-9-11-21(25)12-10-19/h2,4-5,7-12H,3,6,13-17H2,1H3
InChIKeyHAYMWIJSIJKEBS-UHFFFAOYSA-N
XLogP4.47
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

4-chloro-1-(4-fluorophenyl)butan-1-one;1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one;2-methyl-8-piperazin-1-ylquinoline
CID 157448670
1-(4-fluorophenyl)-4-[3-[(2-methylquinolin-8-yl)oxymethyl]piperidin-1-yl]butan-1-one
CID 68892891
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;hydrochloride
CID 13232485
4-[4-(7-chloroisoquinolin-3-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 13025583
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
N-ethyl-4-[4-(4-fluorophenyl)-4-oxobutyl]piperazine-1-carboxamide;hydrochloride
CID 70382049
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
1-(4-hydroxyphenyl)-6-[4-(2-methoxyphenyl)piperazin-1-yl]hexan-1-one
CID 11825129
3-[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]-1-phenylisoquinoline-4-carbaldehyde
CID 21162101
1-(4-fluorophenyl)-4-[(2R,8R)-14-methyl-1,5,14-triazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-5-yl]butan-1-one
CID 90655127
1-(4-fluorophenyl)-4-[(2S,8S)-14-methyl-1,5,14-triazatetracyclo[7.7.1.02,8.013,17]heptadeca-9(17),10,12-trien-5-yl]butan-1-one
CID 90655113
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one (CID 15541847) is 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one is Cc1ccc2cccc(N3CCN(CCCC(=O)c4ccc(F)cc4)CC3)c2n1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one?
The InChIKey is HAYMWIJSIJKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c1-18-7-8-20-4-2-5-22(24(20)26-18)28-16-14-27(15-17-28)13-3-6-23(29)19-9-11-21(25)12-10-19/h2,4-5,7-12H,3,6,13-17H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one?
1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one has a molecular weight of 391.49 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-(2-methylquinolin-8-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 15541847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).