3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one

C21H20N4O2 — CID 110414581

IUPAC3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20N4O2/c26-20(25-13-11-24(12-14-25)19-7-3-4-10-22-19)9-8-17-15-16-5-1-2-6-18(16)23-21(17)27/h1-10,15H,11-14H2,(H,23,27)/b9-8+
InChIKeyBWOZDDZEQOVIEN-CMDGGOBGSA-N
MW360.42 g/mol
LogP2.29
Rot. Bonds3

About 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one

3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one (PubChem CID 110414581) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
PubChem CID110414581
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H20N4O2/c26-20(25-13-11-24(12-14-25)19-7-3-4-10-22-19)9-8-17-15-16-5-1-2-6-18(16)23-21(17)27/h1-10,15H,11-14H2,(H,23,27)/b9-8+
InChIKeyBWOZDDZEQOVIEN-CMDGGOBGSA-N
XLogP2.29
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carbaldehyde
CID 110408570
3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
(E)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-quinolin-8-ylprop-2-en-1-one
CID 47019082
tert-butyl 4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 110605664
(E)-3-(2-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 966115
3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110414474
(E)-3-(2,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7974847
3-(2-nitrophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 73422093
4,4,4-trifluoro-1-(4-pyridin-2-ylpiperazin-1-yl)but-2-en-1-one
CID 68640623
3-(3-bromophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 4076573
(E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7478667
4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-quinolin-2-one
CID 18104771

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one (CID 110414581) is 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one is O=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one?
The InChIKey is BWOZDDZEQOVIEN-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-20(25-13-11-24(12-14-25)19-7-3-4-10-22-19)9-8-17-15-16-5-1-2-6-18(16)23-21(17)27/h1-10,15H,11-14H2,(H,23,27)/b9-8+.
What are the key properties of 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one?
3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one has a molecular weight of 360.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 110414581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).