6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline

C30H32F2N6 — CID 166632627

IUPAC6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline
SMILESCN1CCN(c2ccc(-c3nc4cc(F)c(F)cc4nc3-c3ccc(N4CCN(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H32F2N6/c1-35-11-15-37(16-12-35)23-7-3-21(4-8-23)29-30(34-28-20-26(32)25(31)19-27(28)33-29)22-5-9-24(10-6-22)38-17-13-36(2)14-18-38/h3-10,19-20H,11-18H2,1-2H3
InChIKeyHZHQQLWWCPCNSM-UHFFFAOYSA-N
MW514.62 g/mol
LogP4.75
Rot. Bonds4

About 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline

6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline (PubChem CID 166632627) has the molecular formula C30H32F2N6 and a molecular weight of 514.62 g/mol. Its IUPAC name is 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline.

Molecular Properties

Compound Name6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline
PubChem CID166632627
Molecular FormulaC30H32F2N6
Molecular Weight514.62 g/mol
Exact Mass514.27
IUPAC Name6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline
SMILESCN1CCN(c2ccc(-c3nc4cc(F)c(F)cc4nc3-c3ccc(N4CCN(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C30H32F2N6/c1-35-11-15-37(16-12-35)23-7-3-21(4-8-23)29-30(34-28-20-26(32)25(31)19-27(28)33-29)22-5-9-24(10-6-22)38-17-13-36(2)14-18-38/h3-10,19-20H,11-18H2,1-2H3
InChIKeyHZHQQLWWCPCNSM-UHFFFAOYSA-N
XLogP4.75
TPSA38.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.62
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline?
The IUPAC name of 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline (CID 166632627) is 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline.
What is the SMILES notation for 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline?
The canonical SMILES for 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline is CN1CCN(c2ccc(-c3nc4cc(F)c(F)cc4nc3-c3ccc(N4CCN(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline?
The InChIKey is HZHQQLWWCPCNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F2N6/c1-35-11-15-37(16-12-35)23-7-3-21(4-8-23)29-30(34-28-20-26(32)25(31)19-27(28)33-29)22-5-9-24(10-6-22)38-17-13-36(2)14-18-38/h3-10,19-20H,11-18H2,1-2H3.
What are the key properties of 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline?
6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline has a molecular weight of 514.62 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2,3-bis[4-(4-methylpiperazin-1-yl)phenyl]quinoxaline is sourced from PubChem (CID 166632627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).