1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione

C23H24N4O5 — CID 46375698

IUPAC1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione
SMILESC=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C23H24N4O5/c1-2-10-26-17-6-3-4-7-18(17)27(23(31)22(26)30)11-9-20(28)24-12-14-25(15-13-24)21(29)19-8-5-16-32-19/h2-8,16H,1,9-15H2
InChIKeyXQGSDPRJQZTOTL-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.32
Rot. Bonds6

About 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione

1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione (PubChem CID 46375698) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione.

Molecular Properties

Compound Name1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione
PubChem CID46375698
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione
SMILESC=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
InChIInChI=1S/C23H24N4O5/c1-2-10-26-17-6-3-4-7-18(17)27(23(31)22(26)30)11-9-20(28)24-12-14-25(15-13-24)21(29)19-8-5-16-32-19/h2-8,16H,1,9-15H2
InChIKeyXQGSDPRJQZTOTL-UHFFFAOYSA-N
XLogP1.32
TPSA97.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione with MolForge

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Related Compounds

8-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-7-one
CID 46273961
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
1-ethyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 38909999
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024550
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,2,3-benzotriazin-4-one
CID 23793377
2-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 7600736
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-(2-methylphenyl)butane-1,4-dione
CID 110414523
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
3-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 55486391
azane;4-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-1-(2-phenylethyl)quinoline-3-carbonitrile
CID 162334317
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024404

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione?
The IUPAC name of 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione (CID 46375698) is 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione.
What is the SMILES notation for 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione?
The canonical SMILES for 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione is C=CCn1c(=O)c(=O)n(CCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21.
What is the InChIKey of 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione?
The InChIKey is XQGSDPRJQZTOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-10-26-17-6-3-4-7-18(17)27(23(31)22(26)30)11-9-20(28)24-12-14-25(15-13-24)21(29)19-8-5-16-32-19/h2-8,16H,1,9-15H2.
What are the key properties of 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione?
1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione has a molecular weight of 436.47 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]-4-prop-2-enylquinoxaline-2,3-dione is sourced from PubChem (CID 46375698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).