7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline

C29H22N6O — CID 69329101

IUPAC7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline
SMILESc1ccc(Oc2ccc3ccc(-c4ccc(-c5ncnn6c(C7CCC7)ncc56)nc4)cc3n2)cc1
InChIInChI=1S/C29H22N6O/c1-2-7-23(8-3-1)36-27-14-12-19-9-10-21(15-25(19)34-27)22-11-13-24(30-16-22)28-26-17-31-29(20-5-4-6-20)35(26)33-18-32-28/h1-3,7-18,20H,4-6H2
InChIKeyRPMDFLPSXCXACO-UHFFFAOYSA-N
MW470.54 g/mol
LogP6.46
Rot. Bonds5

About 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline

7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline (PubChem CID 69329101) has the molecular formula C29H22N6O and a molecular weight of 470.54 g/mol. Its IUPAC name is 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline.

Molecular Properties

Compound Name7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline
PubChem CID69329101
Molecular FormulaC29H22N6O
Molecular Weight470.54 g/mol
Exact Mass470.19
IUPAC Name7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline
SMILESc1ccc(Oc2ccc3ccc(-c4ccc(-c5ncnn6c(C7CCC7)ncc56)nc4)cc3n2)cc1
InChIInChI=1S/C29H22N6O/c1-2-7-23(8-3-1)36-27-14-12-19-9-10-21(15-25(19)34-27)22-11-13-24(30-16-22)28-26-17-31-29(20-5-4-6-20)35(26)33-18-32-28/h1-3,7-18,20H,4-6H2
InChIKeyRPMDFLPSXCXACO-UHFFFAOYSA-N
XLogP6.46
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.54
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline?
The IUPAC name of 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline (CID 69329101) is 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline.
What is the SMILES notation for 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline?
The canonical SMILES for 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline is c1ccc(Oc2ccc3ccc(-c4ccc(-c5ncnn6c(C7CCC7)ncc56)nc4)cc3n2)cc1.
What is the InChIKey of 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline?
The InChIKey is RPMDFLPSXCXACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O/c1-2-7-23(8-3-1)36-27-14-12-19-9-10-21(15-25(19)34-27)22-11-13-24(30-16-22)28-26-17-31-29(20-5-4-6-20)35(26)33-18-32-28/h1-3,7-18,20H,4-6H2.
What are the key properties of 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline?
7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline has a molecular weight of 470.54 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(7-cyclobutylimidazo[5,1-f][1,2,4]triazin-4-yl)-3-pyridinyl]-2-phenoxyquinoline is sourced from PubChem (CID 69329101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).