4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine

C19H16BrN5O — CID 1486067

IUPAC4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
SMILESBrc1ccc(-c2nnc3c4ccccc4nc(N4CCOCC4)n23)cc1
InChIInChI=1S/C19H16BrN5O/c20-14-7-5-13(6-8-14)17-22-23-18-15-3-1-2-4-16(15)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2
InChIKeyXEDWDGZSHCGMDK-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.54
Rot. Bonds2

About 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine

4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine (PubChem CID 1486067) has the molecular formula C19H16BrN5O and a molecular weight of 410.28 g/mol. Its IUPAC name is 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
PubChem CID1486067
Molecular FormulaC19H16BrN5O
Molecular Weight410.28 g/mol
Exact Mass409.05
IUPAC Name4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine
SMILESBrc1ccc(-c2nnc3c4ccccc4nc(N4CCOCC4)n23)cc1
InChIInChI=1S/C19H16BrN5O/c20-14-7-5-13(6-8-14)17-22-23-18-15-3-1-2-4-16(15)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2
InChIKeyXEDWDGZSHCGMDK-UHFFFAOYSA-N
XLogP3.54
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The IUPAC name of 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine (CID 1486067) is 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine.
What is the SMILES notation for 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The canonical SMILES for 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine is Brc1ccc(-c2nnc3c4ccccc4nc(N4CCOCC4)n23)cc1.
What is the InChIKey of 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
The InChIKey is XEDWDGZSHCGMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5O/c20-14-7-5-13(6-8-14)17-22-23-18-15-3-1-2-4-16(15)21-19(25(17)18)24-9-11-26-12-10-24/h1-8H,9-12H2.
What are the key properties of 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine?
4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine has a molecular weight of 410.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromophenyl)-[1,2,4]triazolo[4,3-c]quinazolin-5-yl]morpholine is sourced from PubChem (CID 1486067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).