1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one

C16H19N3O — CID 116559522

IUPAC1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
SMILESO=C(Cc1ccnc2ccccc12)CN1CCNCC1
InChIInChI=1S/C16H19N3O/c20-14(12-19-9-7-17-8-10-19)11-13-5-6-18-16-4-2-1-3-15(13)16/h1-6,17H,7-12H2
InChIKeyWJIWWSCTBUIPKV-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.25
Rot. Bonds4

About 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one

1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one (PubChem CID 116559522) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
PubChem CID116559522
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one
SMILESO=C(Cc1ccnc2ccccc12)CN1CCNCC1
InChIInChI=1S/C16H19N3O/c20-14(12-19-9-7-17-8-10-19)11-13-5-6-18-16-4-2-1-3-15(13)16/h1-6,17H,7-12H2
InChIKeyWJIWWSCTBUIPKV-UHFFFAOYSA-N
XLogP1.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633
2-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-1-piperazin-1-ylethanone
CID 135102977
1-quinolin-4-ylbutan-2-one
CID 15695851
1-(1-methylindazol-3-yl)-3-piperazin-1-ylpropan-2-one
CID 116559545
1-(2-chlorophenyl)-3-(1,4-diazepan-1-yl)propan-2-one
CID 116565588
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-quinolin-4-ylethanone
CID 79960182
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-one
CID 103543731
4-(1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985454
1-piperazin-1-yl-2-(quinolin-4-ylamino)ethanone
CID 61339914
1-(3-ethylpiperidin-4-yl)-3-quinolin-4-ylpropan-2-one
CID 178187525
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
1-(cyclopropylamino)-3-quinolin-4-ylpropan-2-one
CID 116555099

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one?
The IUPAC name of 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one (CID 116559522) is 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one.
What is the SMILES notation for 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one?
The canonical SMILES for 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one is O=C(Cc1ccnc2ccccc12)CN1CCNCC1.
What is the InChIKey of 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one?
The InChIKey is WJIWWSCTBUIPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-14(12-19-9-7-17-8-10-19)11-13-5-6-18-16-4-2-1-3-15(13)16/h1-6,17H,7-12H2.
What are the key properties of 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one?
1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one has a molecular weight of 269.35 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-quinolin-4-ylpropan-2-one is sourced from PubChem (CID 116559522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).