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

C24H20ClFN4O3 — CID 56928918

IUPAC7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESO=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1F)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C24H20ClFN4O3/c25-15-1-2-19-14(9-15)3-6-29(19)24(32)16-10-18-20(11-17(16)26)30-21(23(31)28-18)12-27-22(30)13-4-7-33-8-5-13/h1-2,9-13H,3-8H2,(H,28,31)
InChIKeyQMPPNJVCXWKQPA-UHFFFAOYSA-N
MW466.90 g/mol
LogP4.07
Rot. Bonds2

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

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56928918) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID56928918
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC Name7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESO=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1F)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C24H20ClFN4O3/c25-15-1-2-19-14(9-15)3-6-29(19)24(32)16-10-18-20(11-17(16)26)30-21(23(31)28-18)12-27-22(30)13-4-7-33-8-5-13/h1-2,9-13H,3-8H2,(H,28,31)
InChIKeyQMPPNJVCXWKQPA-UHFFFAOYSA-N
XLogP4.07
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574988
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
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
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-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
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-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910070
7-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575324
8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 157372122
7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575542

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 56928918) is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1F)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is QMPPNJVCXWKQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c25-15-1-2-19-14(9-15)3-6-29(19)24(32)16-10-18-20(11-17(16)26)30-21(23(31)28-18)12-27-22(30)13-4-7-33-8-5-13/h1-2,9-13H,3-8H2,(H,28,31).
What are the key properties of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 466.90 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56928918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).