(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one

C18H20N4O — CID 108741356

IUPAC(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H20N4O/c1-2-3-4-9-18(23)22-12-10-21(11-13-22)17-14-19-15-7-5-6-8-16(15)20-17/h2-9,14H,10-13H2,1H3/b3-2+,9-4+
InChIKeyOZRYNFQRBVOLMP-DSXPNFDZSA-N
MW308.39 g/mol
LogP2.41
Rot. Bonds3

About (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one

(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one (PubChem CID 108741356) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
PubChem CID108741356
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
SMILESC/C=C/C=C/C(=O)N1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H20N4O/c1-2-3-4-9-18(23)22-12-10-21(11-13-22)17-14-19-15-7-5-6-8-16(15)20-17/h2-9,14H,10-13H2,1H3/b3-2+,9-4+
InChIKeyOZRYNFQRBVOLMP-DSXPNFDZSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-1-one
CID 108763902
(2E,4E)-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one
CID 26758368
(E)-3-(4-ethoxy-3-methoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 108763986
2-(4-hydroxypiperazin-1-yl)quinoxaline
CID 46878257
(4-propan-2-ylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 36724322
(3,4-dimethylphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741382
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
2-[1-oxo-1-(4-quinoxalin-2-ylpiperazin-1-yl)propan-2-yl]isoindole-1,3-dione
CID 108763935
(2,4-difluorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741472
2-(2-methylphenoxy)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741413
(2,5-dichlorophenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741335
(3,6-dichloro-2-methoxyphenyl)-(4-quinoxalin-2-ylpiperazin-1-yl)methanone
CID 108741343

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
The IUPAC name of (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one (CID 108741356) is (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one is C/C=C/C=C/C(=O)N1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
The InChIKey is OZRYNFQRBVOLMP-DSXPNFDZSA-N. The full InChI is InChI=1S/C18H20N4O/c1-2-3-4-9-18(23)22-12-10-21(11-13-22)17-14-19-15-7-5-6-8-16(15)20-17/h2-9,14H,10-13H2,1H3/b3-2+,9-4+.
What are the key properties of (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one?
(2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one has a molecular weight of 308.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-(4-quinoxalin-2-ylpiperazin-1-yl)hexa-2,4-dien-1-one is sourced from PubChem (CID 108741356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).