(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one

C21H20N4O — CID 47019082

IUPAC(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2cccnc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20N4O/c26-20(10-9-18-6-3-5-17-7-4-12-23-21(17)18)25-15-13-24(14-16-25)19-8-1-2-11-22-19/h1-12H,13-16H2/b10-9+
InChIKeyJKWZRXORWZDIHK-MDZDMXLPSA-N
MW344.42 g/mol
LogP2.99
Rot. Bonds3

About (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one

(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one (PubChem CID 47019082) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
PubChem CID47019082
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2cccnc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20N4O/c26-20(10-9-18-6-3-5-17-7-4-12-23-21(17)18)25-15-13-24(14-16-25)19-8-1-2-11-22-19/h1-12H,13-16H2/b10-9+
InChIKeyJKWZRXORWZDIHK-MDZDMXLPSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 966115
3-(2-nitrophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 73422093
3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
CID 110414581
(E)-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-3-quinolin-8-ylprop-2-enamide
CID 86968796
(E)-3-(2,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7974847
3-(3-bromophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 4076573
(2S)-3-methyl-2-[4-[(E)-3-quinolin-8-ylprop-2-enoyl]piperazin-1-yl]butanenitrile
CID 95140332
(E)-1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
CID 55510722
4,4,4-trifluoro-1-(4-pyridin-2-ylpiperazin-1-yl)but-2-en-1-one
CID 68640623
(E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7478667
1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-quinolin-8-ylprop-2-en-1-one
CID 55510581
(E)-1-(2-phenylmorpholin-4-yl)-3-quinolin-8-ylprop-2-en-1-one
CID 75362373

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one (CID 47019082) is (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one is O=C(/C=C/c1cccc2cccnc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one?
The InChIKey is JKWZRXORWZDIHK-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H20N4O/c26-20(10-9-18-6-3-5-17-7-4-12-23-21(17)18)25-15-13-24(14-16-25)19-8-1-2-11-22-19/h1-12H,13-16H2/b10-9+.
What are the key properties of (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one?
(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one has a molecular weight of 344.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one is sourced from PubChem (CID 47019082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).