1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline

C23H31ClN4 — CID 170157030

IUPAC1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
SMILESCC(CN1CCN(Cc2cccc(Cl)c2)c2ccccc21)N1CCN(C)CC1
InChIInChI=1S/C23H31ClN4/c1-19(26-12-10-25(2)11-13-26)17-27-14-15-28(23-9-4-3-8-22(23)27)18-20-6-5-7-21(24)16-20/h3-9,16,19H,10-15,17-18H2,1-2H3
InChIKeyZIVISJGZHGBYIW-UHFFFAOYSA-N
MW398.98 g/mol
LogP3.80
Rot. Bonds5

About 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline

1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline (PubChem CID 170157030) has the molecular formula C23H31ClN4 and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
PubChem CID170157030
Molecular FormulaC23H31ClN4
Molecular Weight398.98 g/mol
Exact Mass398.22
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline
SMILESCC(CN1CCN(Cc2cccc(Cl)c2)c2ccccc21)N1CCN(C)CC1
InChIInChI=1S/C23H31ClN4/c1-19(26-12-10-25(2)11-13-26)17-27-14-15-28(23-9-4-3-8-22(23)27)18-20-6-5-7-21(24)16-20/h3-9,16,19H,10-15,17-18H2,1-2H3
InChIKeyZIVISJGZHGBYIW-UHFFFAOYSA-N
XLogP3.80
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline (CID 170157030) is 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline is CC(CN1CCN(Cc2cccc(Cl)c2)c2ccccc21)N1CCN(C)CC1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
The InChIKey is ZIVISJGZHGBYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN4/c1-19(26-12-10-25(2)11-13-26)17-27-14-15-28(23-9-4-3-8-22(23)27)18-20-6-5-7-21(24)16-20/h3-9,16,19H,10-15,17-18H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline?
1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline has a molecular weight of 398.98 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[2-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroquinoxaline is sourced from PubChem (CID 170157030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).