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

C22H23FN4O — CID 162670151

IUPAC1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESO=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2F)CC1
InChIInChI=1S/C22H23FN4O/c23-19-16-24-11-9-21(19)26-12-14-27(15-13-26)22(28)8-2-5-17-4-1-7-20-18(17)6-3-10-25-20/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2
InChIKeyFMNVMERGTKCUQM-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.44
Rot. Bonds5

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

1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (PubChem CID 162670151) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
PubChem CID162670151
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESO=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2F)CC1
InChIInChI=1S/C22H23FN4O/c23-19-16-24-11-9-21(19)26-12-14-27(15-13-26)22(28)8-2-5-17-4-1-7-20-18(17)6-3-10-25-20/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2
InChIKeyFMNVMERGTKCUQM-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (CID 162670151) is 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2F)CC1.
What is the InChIKey of 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The InChIKey is FMNVMERGTKCUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c23-19-16-24-11-9-21(19)26-12-14-27(15-13-26)22(28)8-2-5-17-4-1-7-20-18(17)6-3-10-25-20/h1,3-4,6-7,9-11,16H,2,5,8,12-15H2.
What are the key properties of 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one has a molecular weight of 378.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoro-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 162670151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).