7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C24H20F2N4O3 — CID 56928815

IUPAC7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12
InChIInChI=1S/C24H20F2N4O3/c1-12-6-20-19(28-23(31)21-8-27-22(30(20)21)13-4-5-33-11-13)7-14(12)24(32)29-9-15-16(10-29)18(26)3-2-17(15)25/h2-3,6-8,13H,4-5,9-11H2,1H3,(H,28,31)
InChIKeyPNRKJEPKNCCWBX-UHFFFAOYSA-N
MW450.45 g/mol
LogP3.42
Rot. Bonds2

About 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56928815) has the molecular formula C24H20F2N4O3 and a molecular weight of 450.45 g/mol. Its IUPAC name is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID56928815
Molecular FormulaC24H20F2N4O3
Molecular Weight450.45 g/mol
Exact Mass450.15
IUPAC Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12
InChIInChI=1S/C24H20F2N4O3/c1-12-6-20-19(28-23(31)21-8-27-22(30(20)21)13-4-5-33-11-13)7-14(12)24(32)29-9-15-16(10-29)18(26)3-2-17(15)25/h2-3,6-8,13H,4-5,9-11H2,1H3,(H,28,31)
InChIKeyPNRKJEPKNCCWBX-UHFFFAOYSA-N
XLogP3.42
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 56928815) is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12.
What is the InChIKey of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is PNRKJEPKNCCWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O3/c1-12-6-20-19(28-23(31)21-8-27-22(30(20)21)13-4-5-33-11-13)7-14(12)24(32)29-9-15-16(10-29)18(26)3-2-17(15)25/h2-3,6-8,13H,4-5,9-11H2,1H3,(H,28,31).
What are the key properties of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 450.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56928815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).