(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one

C19H18N4O2 — CID 75407670

IUPAC(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C19H18N4O2/c24-18(8-7-16-5-3-13-25-16)22-9-11-23(12-10-22)19-17-6-2-1-4-15(17)14-20-21-19/h1-8,13-14H,9-12H2/b8-7+
InChIKeyUWJUJMANFZJXES-BQYQJAHWSA-N
MW334.38 g/mol
LogP2.58
Rot. Bonds3

About (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one

(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one (PubChem CID 75407670) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one
PubChem CID75407670
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1ccco1)N1CCN(c2nncc3ccccc23)CC1
InChIInChI=1S/C19H18N4O2/c24-18(8-7-16-5-3-13-25-16)22-9-11-23(12-10-22)19-17-6-2-1-4-15(17)14-20-21-19/h1-8,13-14H,9-12H2/b8-7+
InChIKeyUWJUJMANFZJXES-BQYQJAHWSA-N
XLogP2.58
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(furan-2-yl)-1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 121054109
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
(E)-1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 122340199
(E)-3-(furan-2-yl)-1-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one
CID 71791218
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperazin-1-yl)prop-2-en-1-one
CID 45497154
2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]acetic acid
CID 43521483
N-(2,2-dimethylpropyl)-4-phthalazin-1-ylpiperazine-1-carboxamide
CID 110747636
(E)-3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 1292610
(3S,4S)-4-methyl-1-phthalazin-1-ylpyrrolidine-3-carboxylic acid
CID 114085555
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643
3-(furan-2-yl)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 71960841
(E)-3-(furan-2-yl)-1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one
CID 121072303

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one (CID 75407670) is (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one is O=C(/C=C/c1ccco1)N1CCN(c2nncc3ccccc23)CC1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one?
The InChIKey is UWJUJMANFZJXES-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(8-7-16-5-3-13-25-16)22-9-11-23(12-10-22)19-17-6-2-1-4-15(17)14-20-21-19/h1-8,13-14H,9-12H2/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one has a molecular weight of 334.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-(4-phthalazin-1-ylpiperazin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 75407670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).