1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one

C24H27FN4O — CID 147814617

IUPAC1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C
InChIInChI=1S/C24H27FN4O/c1-17-14-20(25)15-27-24(17)29-13-12-28(16-18(29)2)23(30)10-4-7-19-6-3-9-22-21(19)8-5-11-26-22/h3,5-6,8-9,11,14-15,18H,4,7,10,12-13,16H2,1-2H3
InChIKeyHOAYBZZEUBJAIR-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.14
Rot. Bonds5

About 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one

1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one (PubChem CID 147814617) has the molecular formula C24H27FN4O and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one
PubChem CID147814617
Molecular FormulaC24H27FN4O
Molecular Weight406.51 g/mol
Exact Mass406.22
IUPAC Name1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C
InChIInChI=1S/C24H27FN4O/c1-17-14-20(25)15-27-24(17)29-13-12-28(16-18(29)2)23(30)10-4-7-19-6-3-9-22-21(19)8-5-11-26-22/h3,5-6,8-9,11,14-15,18H,4,7,10,12-13,16H2,1-2H3
InChIKeyHOAYBZZEUBJAIR-UHFFFAOYSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

Gnf6231
CID 46927297
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[2,3-Dihydro-8-(4-methyl-1-piperazinyl)-1H-pyrrolo[3,2-g]isoquinolin-1-yl]-5-quinolinylmethanone
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US10251893, Cpd 51
CID 46926891
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1-Isoquinolin-8-yl-3-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]urea
CID 71237098
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CID 71237326
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
4-methyl-N-{4-methyl-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinolin-6-yl}cyclohexane-1-carboxamide
CID 4244680
8-{4-[2-Methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}-8-azaspiro[4.5]decane-7,9-dione
CID 10003814
1-{4-[2-Methyl-4-(quinolin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione
CID 25093401
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one (CID 147814617) is 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one is Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1C.
What is the InChIKey of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The InChIKey is HOAYBZZEUBJAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O/c1-17-14-20(25)15-27-24(17)29-13-12-28(16-18(29)2)23(30)10-4-7-19-6-3-9-22-21(19)8-5-11-26-22/h3,5-6,8-9,11,14-15,18H,4,7,10,12-13,16H2,1-2H3.
What are the key properties of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one has a molecular weight of 406.51 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoro-3-methyl-2-pyridinyl)-3-methylpiperazin-1-yl]-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 147814617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).