8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline

C16H11BrN4O — CID 175889749

IUPAC8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3c4ccc(Br)cc4ncn3n2)cc1
InChIInChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-7-4-11(17)8-14(13)18-9-21(16)20-15/h2-9H,1H3
InChIKeyXNUASPAEYNUDTG-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.72
Rot. Bonds2

About 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline

8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889749) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889749
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC Name8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3c4ccc(Br)cc4ncn3n2)cc1
InChIInChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-7-4-11(17)8-14(13)18-9-21(16)20-15/h2-9H,1H3
InChIKeyXNUASPAEYNUDTG-UHFFFAOYSA-N
XLogP3.72
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889989
2-(4-methoxyphenyl)-9-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889617
10-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 2009035
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3163629
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
2-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 175738814
(9R)-9,13-bis(4-methoxyphenyl)-2-oxa-12,14,15,17-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6,11,13,16-heptaen-5-ol
CID 40999954
4-(4-bromophenyl)-2-ethyl-5-(4-methoxyphenyl)triazole
CID 71126308
10-cyclohexyl-4-(4-methoxyphenyl)-11,12-dimethyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898519
2-pyrimidin-5-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889904
2-(5-fluoro-6-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889891
8-bromo-2-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117137616

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889749) is 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(-c2nc3c4ccc(Br)cc4ncn3n2)cc1.
What is the InChIKey of 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is XNUASPAEYNUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-7-4-11(17)8-14(13)18-9-21(16)20-15/h2-9H,1H3.
What are the key properties of 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 355.20 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).