1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline

C33H28Cl2F2N6O — CID 68735135

IUPAC1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline
SMILESCCCc1nc(C)c2c(OC)nc3ccc(F)cc3n12.Cc1nc(-c2cc(Cl)ccc2Cl)n2c1c(C)nc1ccc(F)cc12
InChIInChI=1S/C18H12Cl2FN3.C15H16FN3O/c1-9-17-10(2)23-18(13-7-11(19)3-5-14(13)20)24(17)16-8-12(21)4-6-15(16)22-9;1-4-5-13-17-9(2)14-15(20-3)18-11-7-6-10(16)8-12(11)19(13)14/h3-8H,1-2H3;6-8H,4-5H2,1-3H3
InChIKeyLDVMIBPBQJVJEB-UHFFFAOYSA-N
MW633.53 g/mol
LogP8.90
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline

1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline (PubChem CID 68735135) has the molecular formula C33H28Cl2F2N6O and a molecular weight of 633.53 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline
PubChem CID68735135
Molecular FormulaC33H28Cl2F2N6O
Molecular Weight633.53 g/mol
Exact Mass632.17
IUPAC Name1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline
SMILESCCCc1nc(C)c2c(OC)nc3ccc(F)cc3n12.Cc1nc(-c2cc(Cl)ccc2Cl)n2c1c(C)nc1ccc(F)cc12
InChIInChI=1S/C18H12Cl2FN3.C15H16FN3O/c1-9-17-10(2)23-18(13-7-11(19)3-5-14(13)20)24(17)16-8-12(21)4-6-15(16)22-9;1-4-5-13-17-9(2)14-15(20-3)18-11-7-6-10(16)8-12(11)19(13)14/h3-8H,1-2H3;6-8H,4-5H2,1-3H3
InChIKeyLDVMIBPBQJVJEB-UHFFFAOYSA-N
XLogP8.90
TPSA69.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.53
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline with MolForge

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Related Compounds

8-fluoro-3-methyl-1-propylimidazo[1,5-a]quinoxaline-4-carbonitrile
CID 42623135
8-chloro-1-(2-chlorophenyl)-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 42629954
1-[4-chloro-2-(trifluoromethyl)phenyl]-8-methoxy-3,4-dimethylimidazo[1,5-a]quinoxaline
CID 66862046
3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
8-chloro-3,4-dimethyl-1-(2-methylphenyl)imidazo[1,5-a]quinoxaline
CID 42629951
3-(2-chloro-4-fluorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648496
3-(4-chloro-2-fluorophenyl)-12-methoxy-5,7-dimethyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 42629470
3-(2-chloro-5-fluorophenyl)-12-methoxy-7-methyl-5-(trifluoromethyl)-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 56648584
3-(2,5-dichlorophenyl)-12-methoxy-5-methyl-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-7-carbonitrile
CID 42629826
3-(2,5-dichlorophenyl)-12-methoxy-5-methyl-2,4,7,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 59321218
4-chloro-3-(6-fluoro-1-propan-2-ylbenzimidazol-2-yl)phenol
CID 106502342
1-(5-chloro-2-fluorophenyl)-8-fluoro-6-methoxy-3-methylimidazo[5,1-c][1,2,4]benzotriazine
CID 68599250

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline?
The IUPAC name of 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline (CID 68735135) is 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline?
The canonical SMILES for 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline is CCCc1nc(C)c2c(OC)nc3ccc(F)cc3n12.Cc1nc(-c2cc(Cl)ccc2Cl)n2c1c(C)nc1ccc(F)cc12.
What is the InChIKey of 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline?
The InChIKey is LDVMIBPBQJVJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3.C15H16FN3O/c1-9-17-10(2)23-18(13-7-11(19)3-5-14(13)20)24(17)16-8-12(21)4-6-15(16)22-9;1-4-5-13-17-9(2)14-15(20-3)18-11-7-6-10(16)8-12(11)19(13)14/h3-8H,1-2H3;6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline?
1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline has a molecular weight of 633.53 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-8-fluoro-3,4-dimethylimidazo[1,5-a]quinoxaline;8-fluoro-4-methoxy-3-methyl-1-propylimidazo[1,5-a]quinoxaline is sourced from PubChem (CID 68735135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).