7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane

C31H36FN5O4 — CID 161293984

IUPAC7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane
SMILESC.CN1CCC[C@H]1COc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C30H32FN5O4.CH4/c1-34-9-2-3-21(34)17-40-27-15-25-23(14-22(27)30(38)35-10-6-19-13-20(31)4-5-24(19)35)33-29(37)26-16-32-28(36(25)26)18-7-11-39-12-8-18;/h4-5,13-16,18,21H,2-3,6-12,17H2,1H3,(H,33,37);1H4/t21-;/m0./s1
InChIKeyVGSQKMHWZFNKGQ-BOXHHOBZSA-N
MW561.66 g/mol
LogP4.52
Rot. Bonds5

About 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane

7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane (PubChem CID 161293984) has the molecular formula C31H36FN5O4 and a molecular weight of 561.66 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane
PubChem CID161293984
Molecular FormulaC31H36FN5O4
Molecular Weight561.66 g/mol
Exact Mass561.28
IUPAC Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane
SMILESC.CN1CCC[C@H]1COc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C30H32FN5O4.CH4/c1-34-9-2-3-21(34)17-40-27-15-25-23(14-22(27)30(38)35-10-6-19-13-20(31)4-5-24(19)35)33-29(37)26-16-32-28(36(25)26)18-7-11-39-12-8-18;/h4-5,13-16,18,21H,2-3,6-12,17H2,1H3,(H,33,37);1H4/t21-;/m0./s1
InChIKeyVGSQKMHWZFNKGQ-BOXHHOBZSA-N
XLogP4.52
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane with MolForge

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Related Compounds

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 56928918
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 160864509
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575017
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574967
7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575009
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574988
methyl 8-methoxy-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylate
CID 58575132
7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575147
8-methyl-1-(oxan-4-yl)-7-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575561
8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 157372122
8-(methoxymethyl)-4-oxo-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 86701152

Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane (CID 161293984) is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane is C.CN1CCC[C@H]1COc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane?
The InChIKey is VGSQKMHWZFNKGQ-BOXHHOBZSA-N. The full InChI is InChI=1S/C30H32FN5O4.CH4/c1-34-9-2-3-21(34)17-40-27-15-25-23(14-22(27)30(38)35-10-6-19-13-20(31)4-5-24(19)35)33-29(37)26-16-32-28(36(25)26)18-7-11-39-12-8-18;/h4-5,13-16,18,21H,2-3,6-12,17H2,1H3,(H,33,37);1H4/t21-;/m0./s1.
What are the key properties of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane?
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane has a molecular weight of 561.66 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane is sourced from PubChem (CID 161293984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).