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

C16H11BrN4O — CID 175889989

IUPAC9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3c4cc(Br)ccc4ncn3n2)cc1
InChIInChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-8-11(17)4-7-14(13)18-9-21(16)20-15/h2-9H,1H3
InChIKeyHHHCTVNFHVXPBP-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.72
Rot. Bonds2

About 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline

9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 175889989) has the molecular formula C16H11BrN4O and a molecular weight of 355.20 g/mol. Its IUPAC name is 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID175889989
Molecular FormulaC16H11BrN4O
Molecular Weight355.20 g/mol
Exact Mass354.01
IUPAC Name9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCOc1ccc(-c2nc3c4cc(Br)ccc4ncn3n2)cc1
InChIInChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-8-11(17)4-7-14(13)18-9-21(16)20-15/h2-9H,1H3
InChIKeyHHHCTVNFHVXPBP-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

8-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 175889749
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
6-bromo-1-(4-methoxyphenyl)benzimidazole
CID 71295672
5-[(6-bromoquinazolin-4-yl)oxymethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78803004
6-bromo-2-(4-methoxyphenyl)-3,1-benzoxazin-4-one
CID 742622
6-bromo-4-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]quinazoline
CID 86946063
6-bromo-4-[4-(4-methoxyphenyl)piperazin-1-yl]quinazoline
CID 87020711
(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
3-[10-bromo-3-(4-methoxyphenyl)-2-oxo-[1,2,4]triazino[2,3-c]quinazolin-6-yl]propanoic acid
CID 56807077
2-[(4-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline
CID 3163629
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

Frequently Asked Questions

What is the IUPAC name of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline (CID 175889989) is 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline is COc1ccc(-c2nc3c4cc(Br)ccc4ncn3n2)cc1.
What is the InChIKey of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is HHHCTVNFHVXPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4O/c1-22-12-5-2-10(3-6-12)15-19-16-13-8-11(17)4-7-14(13)18-9-21(16)20-15/h2-9H,1H3.
What are the key properties of 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline?
9-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 9-bromo-2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 175889989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).