N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine

C20H21FN8 — CID 166373295

IUPACN-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine
SMILESCN1CCN(c2cc(F)cc(CNc3nc4ccccc4n4nnnc34)c2)CC1
InChIInChI=1S/C20H21FN8/c1-27-6-8-28(9-7-27)16-11-14(10-15(21)12-16)13-22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-5,10-12H,6-9,13H2,1H3,(H,22,23)
InChIKeyMJYQBHXLXQZAOF-UHFFFAOYSA-N
MW392.44 g/mol
LogP2.18
Rot. Bonds4

About N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine

N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 166373295) has the molecular formula C20H21FN8 and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID166373295
Molecular FormulaC20H21FN8
Molecular Weight392.44 g/mol
Exact Mass392.19
IUPAC NameN-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine
SMILESCN1CCN(c2cc(F)cc(CNc3nc4ccccc4n4nnnc34)c2)CC1
InChIInChI=1S/C20H21FN8/c1-27-6-8-28(9-7-27)16-11-14(10-15(21)12-16)13-22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-5,10-12H,6-9,13H2,1H3,(H,22,23)
InChIKeyMJYQBHXLXQZAOF-UHFFFAOYSA-N
XLogP2.18
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine (CID 166373295) is N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine is CN1CCN(c2cc(F)cc(CNc3nc4ccccc4n4nnnc34)c2)CC1.
What is the InChIKey of N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is MJYQBHXLXQZAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN8/c1-27-6-8-28(9-7-27)16-11-14(10-15(21)12-16)13-22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-5,10-12H,6-9,13H2,1H3,(H,22,23).
What are the key properties of N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine?
N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 392.44 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(4-methylpiperazin-1-yl)phenyl]methyl]tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 166373295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).