1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one

C22H24N4O — CID 162668867

IUPAC1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one
SMILESO=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(26-16-14-25(15-17-26)19-9-12-23-13-10-19)8-2-5-18-4-1-7-21-20(18)6-3-11-24-21/h1,3-4,6-7,9-13H,2,5,8,14-17H2
InChIKeyZEIWKRKNCNHXEX-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.30
Rot. Bonds5

About 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one

1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one (PubChem CID 162668867) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one
PubChem CID162668867
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one
SMILESO=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C22H24N4O/c27-22(26-16-14-25(15-17-26)19-9-12-23-13-10-19)8-2-5-18-4-1-7-21-20(18)6-3-11-24-21/h1,3-4,6-7,9-13H,2,5,8,14-17H2
InChIKeyZEIWKRKNCNHXEX-UHFFFAOYSA-N
XLogP3.30
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Methylpiperazino)-2-(2-pyridyl)quinoline
CID 453063
Quinoline, 4-(4-methyl-1-piperazinyl)-2-(3-pyridinyl)-
CID 453068
1-(4-(4-propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo(h)(1,6)naphthyridin-2(1H)-one
CID 49836027
4-(4-Methylpiperazino)-2-(4-pyridyl)quinoline
CID 453071
4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline
CID 18326767
6-methyl-5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-3,4-dihydro-2(1H)-quinolinone
CID 24762221
1,6-Dimethyl-5-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 24804774
6-Isoquinolin-4-yl-1-methyl-3,4-dihydroquinolin-2(1H)-one
CID 25147691
9-Isoquinolin-4-yl-1,2,6,7-tetrahydro-5H-pyrido[3,2,1-ij]quinolin-3-one
CID 44479393
1-(4-(4-(cyclopropanecarbonyl)piperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780811
N-methyl-N-(3-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}phenyl)acetamide
CID 49850768
5-{2-[4-(2-methyl-5-quinolinyl)-1-piperazinyl]ethyl}-3,4-dihydro-2(1H)-quinolinone
CID 52942551

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one (CID 162668867) is 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one is O=C(CCCc1cccc2ncccc12)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one?
The InChIKey is ZEIWKRKNCNHXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c27-22(26-16-14-25(15-17-26)19-9-12-23-13-10-19)8-2-5-18-4-1-7-21-20(18)6-3-11-24-21/h1,3-4,6-7,9-13H,2,5,8,14-17H2.
What are the key properties of 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one?
1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one has a molecular weight of 360.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylpiperazin-1-yl)-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 162668867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).