3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one

C23H25ClN4O3 — CID 53001361

IUPAC3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C23H25ClN4O3/c1-2-11-28-20-6-4-3-5-19(20)25-22(23(28)30)27-14-12-26(13-15-27)21(29)16-31-18-9-7-17(24)8-10-18/h3-10H,2,11-16H2,1H3
InChIKeyGCTARRLQXDXHTK-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.19
Rot. Bonds6

About 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one

3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one (PubChem CID 53001361) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one.

Molecular Properties

Compound Name3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
PubChem CID53001361
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one
SMILESCCCn1c(=O)c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc21
InChIInChI=1S/C23H25ClN4O3/c1-2-11-28-20-6-4-3-5-19(20)25-22(23(28)30)27-14-12-26(13-15-27)21(29)16-31-18-9-7-17(24)8-10-18/h3-10H,2,11-16H2,1H3
InChIKeyGCTARRLQXDXHTK-UHFFFAOYSA-N
XLogP3.19
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
3-[4-(3-phenylbutanoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131475
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131511
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131479
3-[4-(4-methoxy-2-methylbenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131518
3-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 50837525
1-propyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 53131492
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
2-(4-chlorophenoxy)-N-[1-(1-propylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 42880320
3-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-1-propylquinoxalin-2-one
CID 53131490
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397190

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one?
The IUPAC name of 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one (CID 53001361) is 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one.
What is the SMILES notation for 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one?
The canonical SMILES for 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one is CCCn1c(=O)c(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc2ccccc21.
What is the InChIKey of 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one?
The InChIKey is GCTARRLQXDXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-2-11-28-20-6-4-3-5-19(20)25-22(23(28)30)27-14-12-26(13-15-27)21(29)16-31-18-9-7-17(24)8-10-18/h3-10H,2,11-16H2,1H3.
What are the key properties of 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one?
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one has a molecular weight of 440.93 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-1-propylquinoxalin-2-one is sourced from PubChem (CID 53001361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).