4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline

C23H24N4 — CID 10522259

IUPAC4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12
InChIInChI=1S/C23H24N4/c1-18-7-5-10-20-22(18)27-12-6-11-21(27)23(24-20)26-15-13-25(14-16-26)17-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3
InChIKeyMVPNSMFTWVNMPO-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.12
Rot. Bonds3

About 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline

4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline (PubChem CID 10522259) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline
PubChem CID10522259
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline
SMILESCc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12
InChIInChI=1S/C23H24N4/c1-18-7-5-10-20-22(18)27-12-6-11-21(27)23(24-20)26-15-13-25(14-16-26)17-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3
InChIKeyMVPNSMFTWVNMPO-UHFFFAOYSA-N
XLogP4.12
TPSA23.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline (CID 10522259) is 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline is Cc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline?
The InChIKey is MVPNSMFTWVNMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-18-7-5-10-20-22(18)27-12-6-11-21(27)23(24-20)26-15-13-25(14-16-26)17-19-8-3-2-4-9-19/h2-12H,13-17H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline?
4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline has a molecular weight of 356.47 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-9-methylpyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 10522259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).