8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline

C16H18ClN5 — CID 58475383

IUPAC8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
SMILESCc1cn2c(n1)c(N1CCN(C)CC1)nc1ccc(Cl)cc12
InChIInChI=1S/C16H18ClN5/c1-11-10-22-14-9-12(17)3-4-13(14)19-15(16(22)18-11)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVTXNXRQUVFVNNR-UHFFFAOYSA-N
MW315.81 g/mol
LogP2.60
Rot. Bonds1

About 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline

8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline (PubChem CID 58475383) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
PubChem CID58475383
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC Name8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
SMILESCc1cn2c(n1)c(N1CCN(C)CC1)nc1ccc(Cl)cc12
InChIInChI=1S/C16H18ClN5/c1-11-10-22-14-9-12(17)3-4-13(14)19-15(16(22)18-11)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3
InChIKeyVTXNXRQUVFVNNR-UHFFFAOYSA-N
XLogP2.60
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline?
The IUPAC name of 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline (CID 58475383) is 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline.
What is the SMILES notation for 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline?
The canonical SMILES for 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline is Cc1cn2c(n1)c(N1CCN(C)CC1)nc1ccc(Cl)cc12.
What is the InChIKey of 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline?
The InChIKey is VTXNXRQUVFVNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-11-10-22-14-9-12(17)3-4-13(14)19-15(16(22)18-11)21-7-5-20(2)6-8-21/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline?
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline has a molecular weight of 315.81 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline is sourced from PubChem (CID 58475383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).