7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C25H24FN5O3 — CID 46910227

IUPAC7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3(C)CCOCC3)n12
InChIInChI=1S/C25H24FN5O3/c1-14-11-20-18(13-17(14)23(33)30-8-5-15-12-16(26)3-4-19(15)30)27-22(32)21-28-29-24(31(20)21)25(2)6-9-34-10-7-25/h3-4,11-13H,5-10H2,1-2H3,(H,27,32)
InChIKeyZCDMLOWHYJHUKE-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.29
Rot. Bonds2

About 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 46910227) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID46910227
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3(C)CCOCC3)n12
InChIInChI=1S/C25H24FN5O3/c1-14-11-20-18(13-17(14)23(33)30-8-5-15-12-16(26)3-4-19(15)30)27-22(32)21-28-29-24(31(20)21)25(2)6-9-34-10-7-25/h3-4,11-13H,5-10H2,1-2H3,(H,27,32)
InChIKeyZCDMLOWHYJHUKE-UHFFFAOYSA-N
XLogP3.29
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 46910227) is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1nnc(C3(C)CCOCC3)n12.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is ZCDMLOWHYJHUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-14-11-20-18(13-17(14)23(33)30-8-5-15-12-16(26)3-4-19(15)30)27-22(32)21-28-29-24(31(20)21)25(2)6-9-34-10-7-25/h3-4,11-13H,5-10H2,1-2H3,(H,27,32).
What are the key properties of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 461.50 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(4-methyloxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 46910227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).