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

C19H16N4O3 — CID 67982690

IUPAC3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one
SMILESCOc1nc(OC)nc(C2(c3ccccc3)C(=O)Nc3ccccc32)n1
InChIInChI=1S/C19H16N4O3/c1-25-17-21-15(22-18(23-17)26-2)19(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16(19)24/h3-11H,1-2H3,(H,20,24)
InChIKeySTZNFSAZPJVZKB-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.18
Rot. Bonds4

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

3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one (PubChem CID 67982690) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one.

Molecular Properties

Compound Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one
PubChem CID67982690
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one
SMILESCOc1nc(OC)nc(C2(c3ccccc3)C(=O)Nc3ccccc32)n1
InChIInChI=1S/C19H16N4O3/c1-25-17-21-15(22-18(23-17)26-2)19(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16(19)24/h3-11H,1-2H3,(H,20,24)
InChIKeySTZNFSAZPJVZKB-UHFFFAOYSA-N
XLogP2.18
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.18
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)-3-phenyl-1H-indol-2-one?
The IUPAC name of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one (CID 67982690) is 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one.
What is the SMILES notation for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one?
The canonical SMILES for 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one is COc1nc(OC)nc(C2(c3ccccc3)C(=O)Nc3ccccc32)n1.
What is the InChIKey of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one?
The InChIKey is STZNFSAZPJVZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-25-17-21-15(22-18(23-17)26-2)19(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20-16(19)24/h3-11H,1-2H3,(H,20,24).
What are the key properties of 3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one?
3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-phenyl-1H-indol-2-one has a molecular weight of 348.36 g/mol, XLogP of 2.18, 4 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)-3-phenyl-1H-indol-2-one is sourced from PubChem (CID 67982690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).