3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one

C21H19N3O4 — CID 110414474

IUPAC3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H19N3O4/c25-19(8-7-16-14-15-4-1-2-5-17(15)22-20(16)26)23-9-11-24(12-10-23)21(27)18-6-3-13-28-18/h1-8,13-14H,9-12H2,(H,22,26)/b8-7+
InChIKeyOQFCZUXSQXCMBU-BQYQJAHWSA-N
MW377.40 g/mol
LogP2.12
Rot. Bonds3

About 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one

3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one (PubChem CID 110414474) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
PubChem CID110414474
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
SMILESO=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H19N3O4/c25-19(8-7-16-14-15-4-1-2-5-17(15)22-20(16)26)23-9-11-24(12-10-23)21(27)18-6-3-13-28-18/h1-8,13-14H,9-12H2,(H,22,26)/b8-7+
InChIKeyOQFCZUXSQXCMBU-BQYQJAHWSA-N
XLogP2.12
TPSA86.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.12
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

3-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110407799
4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carbaldehyde
CID 110408570
tert-butyl 4-[(E)-3-(2-oxo-1H-quinolin-3-yl)prop-2-enoyl]piperazine-1-carboxylate
CID 110605664
3-[(E)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)prop-1-enyl]-1H-quinolin-2-one
CID 110414581
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
(E)-3-(4-aminophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 84552572
3-[(E)-3-(3,5-dimethylmorpholin-4-yl)-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 110631195
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
N-ethyl-4-(furan-2-carbonyl)-N'-(1H-indol-2-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168658
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
3-[(E)-3-[4-(dimethylamino)phenyl]-3-oxoprop-1-enyl]-1H-quinolin-2-one
CID 34904119

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one (CID 110414474) is 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one is O=C(/C=C/c1cc2ccccc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
The InChIKey is OQFCZUXSQXCMBU-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-19(8-7-16-14-15-4-1-2-5-17(15)22-20(16)26)23-9-11-24(12-10-23)21(27)18-6-3-13-28-18/h1-8,13-14H,9-12H2,(H,22,26)/b8-7+.
What are the key properties of 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one?
3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one has a molecular weight of 377.40 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxoprop-1-enyl]-1H-quinolin-2-one is sourced from PubChem (CID 110414474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).