6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine

C22H24ClFN6 — CID 70246687

IUPAC6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine
SMILESCN(C)CCCCNc1cc(-c2c(F)cccc2Cl)c2nc(N)c3cncn3c2c1
InChIInChI=1S/C22H24ClFN6/c1-29(2)9-4-3-8-27-14-10-15(20-16(23)6-5-7-17(20)24)21-18(11-14)30-13-26-12-19(30)22(25)28-21/h5-7,10-13,27H,3-4,8-9H2,1-2H3,(H2,25,28)
InChIKeyQXIYPIPCSSKVBN-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.68
Rot. Bonds7

About 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine

6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine (PubChem CID 70246687) has the molecular formula C22H24ClFN6 and a molecular weight of 426.93 g/mol. Its IUPAC name is 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine.

Molecular Properties

Compound Name6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine
PubChem CID70246687
Molecular FormulaC22H24ClFN6
Molecular Weight426.93 g/mol
Exact Mass426.17
IUPAC Name6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine
SMILESCN(C)CCCCNc1cc(-c2c(F)cccc2Cl)c2nc(N)c3cncn3c2c1
InChIInChI=1S/C22H24ClFN6/c1-29(2)9-4-3-8-27-14-10-15(20-16(23)6-5-7-17(20)24)21-18(11-14)30-13-26-12-19(30)22(25)28-21/h5-7,10-13,27H,3-4,8-9H2,1-2H3,(H2,25,28)
InChIKeyQXIYPIPCSSKVBN-UHFFFAOYSA-N
XLogP4.68
TPSA71.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine?
The IUPAC name of 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine (CID 70246687) is 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine.
What is the SMILES notation for 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine?
The canonical SMILES for 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine is CN(C)CCCCNc1cc(-c2c(F)cccc2Cl)c2nc(N)c3cncn3c2c1.
What is the InChIKey of 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine?
The InChIKey is QXIYPIPCSSKVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN6/c1-29(2)9-4-3-8-27-14-10-15(20-16(23)6-5-7-17(20)24)21-18(11-14)30-13-26-12-19(30)22(25)28-21/h5-7,10-13,27H,3-4,8-9H2,1-2H3,(H2,25,28).
What are the key properties of 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine?
6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine has a molecular weight of 426.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-fluorophenyl)-8-N-[4-(dimethylamino)butyl]imidazo[1,5-a]quinoxaline-4,8-diamine is sourced from PubChem (CID 70246687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).