1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione

C24H28N4O3 — CID 31952076

IUPAC1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
SMILESO=C1CN(C(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)c2ccccc2N1
InChIInChI=1S/C24H28N4O3/c29-22-18-28(21-9-5-4-8-20(21)25-22)24(31)11-10-23(30)27-16-14-26(15-17-27)13-12-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,25,29)
InChIKeySDKXCODENAKYRX-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.14
Rot. Bonds6

About 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione

1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione (PubChem CID 31952076) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
PubChem CID31952076
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
SMILESO=C1CN(C(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)c2ccccc2N1
InChIInChI=1S/C24H28N4O3/c29-22-18-28(21-9-5-4-8-20(21)25-22)24(31)11-10-23(30)27-16-14-26(15-17-27)13-12-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,25,29)
InChIKeySDKXCODENAKYRX-UHFFFAOYSA-N
XLogP2.14
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione with MolForge

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Related Compounds

1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 55474513
4-[3-(4-chlorophenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 51280680
4-[3-(4-methylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453577
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 55634150
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
3-fluoro-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258928
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
N-(2-aminoethyl)-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-(2-phenylethyl)butanamide
CID 120886014
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoate
CID 55476261
4-[3-(4-propan-2-ylphenyl)propanoyl]-1,3-dihydroquinoxalin-2-one
CID 41453973
ethane;4-(3-phenylmethoxypropanoyl)-1,3-dihydroquinoxalin-2-one
CID 163261620
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butane-1,4-dione
CID 119519616

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione (CID 31952076) is 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione is O=C1CN(C(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)c2ccccc2N1.
What is the InChIKey of 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is SDKXCODENAKYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-22-18-28(21-9-5-4-8-20(21)25-22)24(31)11-10-23(30)27-16-14-26(15-17-27)13-12-19-6-2-1-3-7-19/h1-9H,10-18H2,(H,25,29).
What are the key properties of 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione?
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 420.51 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 31952076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).