7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine

C18H16FN5 — CID 57394657

IUPAC7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine
SMILESCNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn12
InChIInChI=1S/C18H16FN5/c1-11-5-3-4-6-13(11)22-18-17-9-21-10-24(17)16-8-14(20-2)12(19)7-15(16)23-18/h3-10,20H,1-2H3,(H,22,23)
InChIKeyIBPATAZNVCJILR-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.12
Rot. Bonds3

About 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine

7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine (PubChem CID 57394657) has the molecular formula C18H16FN5 and a molecular weight of 321.36 g/mol. Its IUPAC name is 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine.

Molecular Properties

Compound Name7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine
PubChem CID57394657
Molecular FormulaC18H16FN5
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine
SMILESCNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn12
InChIInChI=1S/C18H16FN5/c1-11-5-3-4-6-13(11)22-18-17-9-21-10-24(17)16-8-14(20-2)12(19)7-15(16)23-18/h3-10,20H,1-2H3,(H,22,23)
InChIKeyIBPATAZNVCJILR-UHFFFAOYSA-N
XLogP4.12
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine?
The IUPAC name of 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine (CID 57394657) is 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine.
What is the SMILES notation for 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine?
The canonical SMILES for 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine is CNc1cc2c(cc1F)nc(Nc1ccccc1C)c1cncn12.
What is the InChIKey of 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine?
The InChIKey is IBPATAZNVCJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5/c1-11-5-3-4-6-13(11)22-18-17-9-21-10-24(17)16-8-14(20-2)12(19)7-15(16)23-18/h3-10,20H,1-2H3,(H,22,23).
What are the key properties of 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine?
7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine has a molecular weight of 321.36 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-N-methyl-4-N-(2-methylphenyl)imidazo[1,5-a]quinoxaline-4,8-diamine is sourced from PubChem (CID 57394657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).