8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C28H30FN5O4 — CID 46910573

IUPAC8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN(C)CCOc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C28H30FN5O4/c1-32(2)9-12-38-25-15-23-21(14-20(25)28(36)33-8-5-18-13-19(29)3-4-22(18)33)31-27(35)24-16-30-26(34(23)24)17-6-10-37-11-7-17/h3-4,13-17H,5-12H2,1-2H3,(H,31,35)
InChIKeyIOCWDSLXMMBRTF-UHFFFAOYSA-N
MW519.58 g/mol
LogP3.35
Rot. Bonds6

About 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 46910573) has the molecular formula C28H30FN5O4 and a molecular weight of 519.58 g/mol. Its IUPAC name is 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID46910573
Molecular FormulaC28H30FN5O4
Molecular Weight519.58 g/mol
Exact Mass519.23
IUPAC Name8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCN(C)CCOc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C28H30FN5O4/c1-32(2)9-12-38-25-15-23-21(14-20(25)28(36)33-8-5-18-13-19(29)3-4-22(18)33)31-27(35)24-16-30-26(34(23)24)17-6-10-37-11-7-17/h3-4,13-17H,5-12H2,1-2H3,(H,31,35)
InChIKeyIOCWDSLXMMBRTF-UHFFFAOYSA-N
XLogP3.35
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 46910573) is 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is CN(C)CCOc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is IOCWDSLXMMBRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O4/c1-32(2)9-12-38-25-15-23-21(14-20(25)28(36)33-8-5-18-13-19(29)3-4-22(18)33)31-27(35)24-16-30-26(34(23)24)17-6-10-37-11-7-17/h3-4,13-17H,5-12H2,1-2H3,(H,31,35).
What are the key properties of 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 519.58 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 46910573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).