7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine

C18H15FN4O — CID 57401633

IUPAC7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine
SMILESCNc1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn12
InChIInChI=1S/C18H15FN4O/c1-11-5-3-4-6-17(11)24-18-16-9-21-10-23(16)15-8-13(20-2)12(19)7-14(15)22-18/h3-10,20H,1-2H3
InChIKeyNRXDTXPNUZKPNI-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.16
Rot. Bonds3

About 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine

7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine (PubChem CID 57401633) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine.

Molecular Properties

Compound Name7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine
PubChem CID57401633
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine
SMILESCNc1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn12
InChIInChI=1S/C18H15FN4O/c1-11-5-3-4-6-17(11)24-18-16-9-21-10-23(16)15-8-13(20-2)12(19)7-14(15)22-18/h3-10,20H,1-2H3
InChIKeyNRXDTXPNUZKPNI-UHFFFAOYSA-N
XLogP4.16
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine?
The IUPAC name of 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine (CID 57401633) is 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine.
What is the SMILES notation for 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine?
The canonical SMILES for 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine is CNc1cc2c(cc1F)nc(Oc1ccccc1C)c1cncn12.
What is the InChIKey of 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine?
The InChIKey is NRXDTXPNUZKPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-11-5-3-4-6-17(11)24-18-16-9-21-10-23(16)15-8-13(20-2)12(19)7-14(15)22-18/h3-10,20H,1-2H3.
What are the key properties of 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine?
7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine has a molecular weight of 322.34 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-methyl-4-(2-methylphenoxy)imidazo[1,5-a]quinoxalin-8-amine is sourced from PubChem (CID 57401633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).