7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline

C21H16N6O2 — CID 57406577

IUPAC7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C21H16N6O2/c1-28-15-7-8-16-17(11-15)22-10-9-19(16)29-13-20-24-25-21-23-12-18(26-27(20)21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyDYQKJQPOOQEANS-UHFFFAOYSA-N
MW384.40 g/mol
LogP3.32
Rot. Bonds5

About 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline (PubChem CID 57406577) has the molecular formula C21H16N6O2 and a molecular weight of 384.40 g/mol. Its IUPAC name is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline
PubChem CID57406577
Molecular FormulaC21H16N6O2
Molecular Weight384.40 g/mol
Exact Mass384.13
IUPAC Name7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C21H16N6O2/c1-28-15-7-8-16-17(11-15)22-10-9-19(16)29-13-20-24-25-21-23-12-18(26-27(20)21)14-5-3-2-4-6-14/h2-12H,13H2,1H3
InChIKeyDYQKJQPOOQEANS-UHFFFAOYSA-N
XLogP3.32
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline?
The IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline (CID 57406577) is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline is COc1ccc2c(OCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline?
The InChIKey is DYQKJQPOOQEANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2/c1-28-15-7-8-16-17(11-15)22-10-9-19(16)29-13-20-24-25-21-23-12-18(26-27(20)21)14-5-3-2-4-6-14/h2-12H,13H2,1H3.
What are the key properties of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline?
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline has a molecular weight of 384.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 57406577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).