4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide

C24H29N5O3 — CID 55634150

IUPAC4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
SMILESO=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N5O3/c30-22(10-11-24(32)29-18-23(31)26-20-8-4-5-9-21(20)29)25-12-13-27-14-16-28(17-15-27)19-6-2-1-3-7-19/h1-9H,10-18H2,(H,25,30)(H,26,31)
InChIKeyYLBDEZJZZFQFGX-UHFFFAOYSA-N
MW435.53 g/mol
LogP1.69
Rot. Bonds7

About 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide

4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide (PubChem CID 55634150) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
PubChem CID55634150
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
SMILESO=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H29N5O3/c30-22(10-11-24(32)29-18-23(31)26-20-8-4-5-9-21(20)29)25-12-13-27-14-16-28(17-15-27)19-6-2-1-3-7-19/h1-9H,10-18H2,(H,25,30)(H,26,31)
InChIKeyYLBDEZJZZFQFGX-UHFFFAOYSA-N
XLogP1.69
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide with MolForge

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Related Compounds

N-[2-(methylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 119502929
2-hydroxy-N-[3-oxo-3-(3-oxo-2,4-dihydroquinoxalin-1-yl)propyl]acetamide
CID 163261629
1-(3-oxo-2,4-dihydroquinoxalin-1-yl)-4-[4-(2-phenylethyl)piperazin-1-yl]butane-1,4-dione
CID 31952076
N-[2-(cycloheptylamino)ethyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide;hydrochloride
CID 119620738
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 134014084
N-cycloheptyl-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide
CID 35806320
2-cyclopropyl-2-[[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]amino]acetic acid
CID 119213630
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277
3,3-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide
CID 30899995
1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-2-carboxylic acid
CID 119176060
(3S)-1-[4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanoyl]piperidine-3-carboxylic acid
CID 119173948
4-(3-cyclohexylpropanoyl)-1,3-dihydroquinoxalin-2-one
CID 26860756

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
The IUPAC name of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide (CID 55634150) is 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide.
What is the SMILES notation for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
The canonical SMILES for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide is O=C(CCC(=O)N1CC(=O)Nc2ccccc21)NCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
The InChIKey is YLBDEZJZZFQFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c30-22(10-11-24(32)29-18-23(31)26-20-8-4-5-9-21(20)29)25-12-13-27-14-16-28(17-15-27)19-6-2-1-3-7-19/h1-9H,10-18H2,(H,25,30)(H,26,31).
What are the key properties of 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide?
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide has a molecular weight of 435.53 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]butanamide is sourced from PubChem (CID 55634150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).