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

C24H21ClFN5O3 — CID 46910070

IUPAC7-(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
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1nnc(C3CCOCC3)n12
InChIInChI=1S/C24H21ClFN5O3/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-3-6-34-7-4-13)10-15(12)24(33)30-5-2-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32)
InChIKeyAVUUVLKBKSYMND-UHFFFAOYSA-N
MW481.92 g/mol
LogP3.77
Rot. Bonds2

About 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

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 (PubChem CID 46910070) has the molecular formula C24H21ClFN5O3 and a molecular weight of 481.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID46910070
Molecular FormulaC24H21ClFN5O3
Molecular Weight481.92 g/mol
Exact Mass481.13
IUPAC Name7-(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
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1nnc(C3CCOCC3)n12
InChIInChI=1S/C24H21ClFN5O3/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-3-6-34-7-4-13)10-15(12)24(33)30-5-2-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32)
InChIKeyAVUUVLKBKSYMND-UHFFFAOYSA-N
XLogP3.77
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.92
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
CID 44587668
7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910747
7-(6-chloro-5-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910142
1-(4,4-difluorocyclohexyl)-7-[(5-fluoro-2,3-dihydro-1H-indol-1-yl)carbonyl]-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 46910143
1-cyclopentyl-7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910145
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
7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910228
7-[(5-chloro-2,3-dihydro-1H-indol-1-yl)carbonyl]-1-[cyclopropyl(fluoro)methyl]-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4(5H)-one
CID 46910314
7-(5,6-difluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910389
7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910571
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 56928918
8-methyl-1-(oxan-4-yl)-7-[5-(trifluoromethyl)-2,3-dihydroindole-1-carbonyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 56929016

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1nnc(C3CCOCC3)n12.
What is the InChIKey of 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?
The InChIKey is AVUUVLKBKSYMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O3/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-3-6-34-7-4-13)10-15(12)24(33)30-5-2-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32).
What are the key properties of 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?
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 has a molecular weight of 481.92 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46910070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).