6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline

C18H13BrF2N4O2 — CID 168978555

IUPAC6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline
SMILESCOCOc1c(-c2cnc3cc(Br)cc(F)c3n2)cc2cn(C)nc2c1F
InChIInChI=1S/C18H13BrF2N4O2/c1-25-7-9-3-11(18(27-8-26-2)15(21)16(9)24-25)14-6-22-13-5-10(19)4-12(20)17(13)23-14/h3-7H,8H2,1-2H3
InChIKeyVGCPKHVTPRMETK-UHFFFAOYSA-N
MW435.23 g/mol
LogP4.21
Rot. Bonds4

About 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline

6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline (PubChem CID 168978555) has the molecular formula C18H13BrF2N4O2 and a molecular weight of 435.23 g/mol. Its IUPAC name is 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline.

Molecular Properties

Compound Name6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline
PubChem CID168978555
Molecular FormulaC18H13BrF2N4O2
Molecular Weight435.23 g/mol
Exact Mass434.02
IUPAC Name6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline
SMILESCOCOc1c(-c2cnc3cc(Br)cc(F)c3n2)cc2cn(C)nc2c1F
InChIInChI=1S/C18H13BrF2N4O2/c1-25-7-9-3-11(18(27-8-26-2)15(21)16(9)24-25)14-6-22-13-5-10(19)4-12(20)17(13)23-14/h3-7H,8H2,1-2H3
InChIKeyVGCPKHVTPRMETK-UHFFFAOYSA-N
XLogP4.21
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
The IUPAC name of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline (CID 168978555) is 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline.
What is the SMILES notation for 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
The canonical SMILES for 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline is COCOc1c(-c2cnc3cc(Br)cc(F)c3n2)cc2cn(C)nc2c1F.
What is the InChIKey of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
The InChIKey is VGCPKHVTPRMETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N4O2/c1-25-7-9-3-11(18(27-8-26-2)15(21)16(9)24-25)14-6-22-13-5-10(19)4-12(20)17(13)23-14/h3-7H,8H2,1-2H3.
What are the key properties of 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline?
6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline has a molecular weight of 435.23 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-fluoro-2-[7-fluoro-6-(methoxymethoxy)-2-methylindazol-5-yl]quinoxaline is sourced from PubChem (CID 168978555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).