7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline

C20H15N7O2 — CID 127044577

IUPAC7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3nnc4nnc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C20H15N7O2/c1-28-14-7-8-15-16(11-14)21-10-9-17(15)29-12-18-22-24-20-25-23-19(26-27(18)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyKNRJZFHLLFYPII-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.72
Rot. Bonds5

About 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline

7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline (PubChem CID 127044577) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline
PubChem CID127044577
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3nnc4nnc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C20H15N7O2/c1-28-14-7-8-15-16(11-14)21-10-9-17(15)29-12-18-22-24-20-25-23-19(26-27(18)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyKNRJZFHLLFYPII-UHFFFAOYSA-N
XLogP2.72
TPSA100.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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][1,2,4,5]tetrazin-3-yl)methoxy]quinoline?
The IUPAC name of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline (CID 127044577) is 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline is COc1ccc2c(OCc3nnc4nnc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline?
The InChIKey is KNRJZFHLLFYPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-28-14-7-8-15-16(11-14)21-10-9-17(15)29-12-18-22-24-20-25-23-19(26-27(18)20)13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline?
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline has a molecular weight of 385.39 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-3-yl)methoxy]quinoline is sourced from PubChem (CID 127044577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).