[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone

C21H18N4O3 — CID 122189025

IUPAC[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone
SMILESCOc1nc(OC)nc(-c2cc(C(=O)c3ccc(C)cc3)n3ccccc23)n1
InChIInChI=1S/C21H18N4O3/c1-13-7-9-14(10-8-13)18(26)17-12-15(16-6-4-5-11-25(16)17)19-22-20(27-2)24-21(23-19)28-3/h4-12H,1-3H3
InChIKeyGAFMUMLAXAPUOI-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.35
Rot. Bonds5

About [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone

[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone (PubChem CID 122189025) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone
PubChem CID122189025
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone
SMILESCOc1nc(OC)nc(-c2cc(C(=O)c3ccc(C)cc3)n3ccccc23)n1
InChIInChI=1S/C21H18N4O3/c1-13-7-9-14(10-8-13)18(26)17-12-15(16-6-4-5-11-25(16)17)19-22-20(27-2)24-21(23-19)28-3/h4-12H,1-3H3
InChIKeyGAFMUMLAXAPUOI-UHFFFAOYSA-N
XLogP3.35
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone?
The IUPAC name of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone (CID 122189025) is [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone is COc1nc(OC)nc(-c2cc(C(=O)c3ccc(C)cc3)n3ccccc23)n1.
What is the InChIKey of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone?
The InChIKey is GAFMUMLAXAPUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-7-9-14(10-8-13)18(26)17-12-15(16-6-4-5-11-25(16)17)19-22-20(27-2)24-21(23-19)28-3/h4-12H,1-3H3.
What are the key properties of [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone?
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone has a molecular weight of 374.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 122189025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).