1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one

C22H26N4O2 — CID 139617041

IUPAC1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
SMILESCOc1ccc(N2CCN(CCCn3c(=O)cnc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-19-9-7-18(8-10-19)25-15-13-24(14-16-25)11-4-12-26-21-6-3-2-5-20(21)23-17-22(26)27/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyMTZQYKXGCLYLRL-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.62
Rot. Bonds6

About 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one

1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one (PubChem CID 139617041) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
PubChem CID139617041
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one
SMILESCOc1ccc(N2CCN(CCCn3c(=O)cnc4ccccc43)CC2)cc1
InChIInChI=1S/C22H26N4O2/c1-28-19-9-7-18(8-10-19)25-15-13-24(14-16-25)11-4-12-26-21-6-3-2-5-20(21)23-17-22(26)27/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyMTZQYKXGCLYLRL-UHFFFAOYSA-N
XLogP2.62
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617076
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]quinoxalin-2-one
CID 139617099
1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoxalin-2-one
CID 139617050
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one;hydrochloride
CID 56679680
1-(2-morpholin-4-ylethyl)quinoxalin-2-one
CID 142775762
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-methylquinoxalin-2-one
CID 139617104
3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride
CID 90664583
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-oxo-[1,3]thiazino[3,2-a]benzimidazole-2-carboxamide
CID 46326183
1-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-5-methoxyquinolin-2-one
CID 57128124
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
The IUPAC name of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one (CID 139617041) is 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one.
What is the SMILES notation for 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
The canonical SMILES for 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one is COc1ccc(N2CCN(CCCn3c(=O)cnc4ccccc43)CC2)cc1.
What is the InChIKey of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
The InChIKey is MTZQYKXGCLYLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-19-9-7-18(8-10-19)25-15-13-24(14-16-25)11-4-12-26-21-6-3-2-5-20(21)23-17-22(26)27/h2-3,5-10,17H,4,11-16H2,1H3.
What are the key properties of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one?
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]quinoxalin-2-one is sourced from PubChem (CID 139617041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).