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

C20H15BrN4O3 — CID 122189028

IUPAC(4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone
SMILESCOc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccccc23)n1
InChIInChI=1S/C20H15BrN4O3/c1-27-19-22-18(23-20(24-19)28-2)14-11-16(25-10-4-3-5-15(14)25)17(26)12-6-8-13(21)9-7-12/h3-11H,1-2H3
InChIKeyAITZXYAQFRJFNC-UHFFFAOYSA-N
MW439.27 g/mol
LogP3.80
Rot. Bonds5

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

(4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone (PubChem CID 122189028) has the molecular formula C20H15BrN4O3 and a molecular weight of 439.27 g/mol. Its IUPAC name is (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone
PubChem CID122189028
Molecular FormulaC20H15BrN4O3
Molecular Weight439.27 g/mol
Exact Mass438.03
IUPAC Name(4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone
SMILESCOc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccccc23)n1
InChIInChI=1S/C20H15BrN4O3/c1-27-19-22-18(23-20(24-19)28-2)14-11-16(25-10-4-3-5-15(14)25)17(26)12-6-8-13(21)9-7-12/h3-11H,1-2H3
InChIKeyAITZXYAQFRJFNC-UHFFFAOYSA-N
XLogP3.80
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.27
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone?
The IUPAC name of (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone (CID 122189028) is (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone is COc1nc(OC)nc(-c2cc(C(=O)c3ccc(Br)cc3)n3ccccc23)n1.
What is the InChIKey of (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone?
The InChIKey is AITZXYAQFRJFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O3/c1-27-19-22-18(23-20(24-19)28-2)14-11-16(25-10-4-3-5-15(14)25)17(26)12-6-8-13(21)9-7-12/h3-11H,1-2H3.
What are the key properties of (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone?
(4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone has a molecular weight of 439.27 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)indolizin-3-yl]methanone is sourced from PubChem (CID 122189028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).