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

C23H25FN4O — CID 162655141

IUPAC1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1
InChIInChI=1S/C23H25FN4O/c1-17-15-19(24)16-26-23(17)28-13-11-27(12-14-28)22(29)9-3-6-18-5-2-8-21-20(18)7-4-10-25-21/h2,4-5,7-8,10,15-16H,3,6,9,11-14H2,1H3
InChIKeyOCECXOHPPIBWHP-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.75
Rot. Bonds5

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

1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (PubChem CID 162655141) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
PubChem CID162655141
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1
InChIInChI=1S/C23H25FN4O/c1-17-15-19(24)16-26-23(17)28-13-11-27(12-14-28)22(29)9-3-6-18-5-2-8-21-20(18)7-4-10-25-21/h2,4-5,7-8,10,15-16H,3,6,9,11-14H2,1H3
InChIKeyOCECXOHPPIBWHP-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (CID 162655141) is 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is Cc1cc(F)cnc1N1CCN(C(=O)CCCc2cccc3ncccc23)CC1.
What is the InChIKey of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The InChIKey is OCECXOHPPIBWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-17-15-19(24)16-26-23(17)28-13-11-27(12-14-28)22(29)9-3-6-18-5-2-8-21-20(18)7-4-10-25-21/h2,4-5,7-8,10,15-16H,3,6,9,11-14H2,1H3.
What are the key properties of 1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
1-[4-(5-fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one has a molecular weight of 392.48 g/mol, XLogP of 3.75, 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)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 162655141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).