3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one

C14H13FN4O3 — CID 67983090

IUPAC3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one
SMILESCOc1nc(OC)nc(C2(C)C(=O)Nc3c(F)cccc32)n1
InChIInChI=1S/C14H13FN4O3/c1-14(10-17-12(21-2)19-13(18-10)22-3)7-5-4-6-8(15)9(7)16-11(14)20/h4-6H,1-3H3,(H,16,20)
InChIKeyHBQSEMVZWYLVPS-UHFFFAOYSA-N
MW304.28 g/mol
LogP1.29
Rot. Bonds3

About 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one

3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one (PubChem CID 67983090) has the molecular formula C14H13FN4O3 and a molecular weight of 304.28 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one
PubChem CID67983090
Molecular FormulaC14H13FN4O3
Molecular Weight304.28 g/mol
Exact Mass304.10
IUPAC Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one
SMILESCOc1nc(OC)nc(C2(C)C(=O)Nc3c(F)cccc32)n1
InChIInChI=1S/C14H13FN4O3/c1-14(10-17-12(21-2)19-13(18-10)22-3)7-5-4-6-8(15)9(7)16-11(14)20/h4-6H,1-3H3,(H,16,20)
InChIKeyHBQSEMVZWYLVPS-UHFFFAOYSA-N
XLogP1.29
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one?
The IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one (CID 67983090) is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one.
What is the SMILES notation for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one?
The canonical SMILES for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one is COc1nc(OC)nc(C2(C)C(=O)Nc3c(F)cccc32)n1.
What is the InChIKey of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one?
The InChIKey is HBQSEMVZWYLVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O3/c1-14(10-17-12(21-2)19-13(18-10)22-3)7-5-4-6-8(15)9(7)16-11(14)20/h4-6H,1-3H3,(H,16,20).
What are the key properties of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one?
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one has a molecular weight of 304.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-3-methyl-1H-indol-2-one is sourced from PubChem (CID 67983090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).