8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline

C23H20N6O — CID 56673717

IUPAC8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
SMILESCOc1cc(-c2cn(Cc3cccc4cccnc34)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20N6O/c1-16-12-28(15-25-16)21-9-8-18(11-22(21)30-2)20-14-29(27-26-20)13-19-6-3-5-17-7-4-10-24-23(17)19/h3-12,14-15H,13H2,1-2H3
InChIKeyKIAAQVKBEOGDRA-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.04
Rot. Bonds5

About 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline

8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline (PubChem CID 56673717) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
PubChem CID56673717
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
SMILESCOc1cc(-c2cn(Cc3cccc4cccnc34)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20N6O/c1-16-12-28(15-25-16)21-9-8-18(11-22(21)30-2)20-14-29(27-26-20)13-19-6-3-5-17-7-4-10-24-23(17)19/h3-12,14-15H,13H2,1-2H3
InChIKeyKIAAQVKBEOGDRA-UHFFFAOYSA-N
XLogP4.04
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline (CID 56673717) is 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline is COc1cc(-c2cn(Cc3cccc4cccnc34)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
The InChIKey is KIAAQVKBEOGDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-16-12-28(15-25-16)21-9-8-18(11-22(21)30-2)20-14-29(27-26-20)13-19-6-3-5-17-7-4-10-24-23(17)19/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline has a molecular weight of 396.45 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline is sourced from PubChem (CID 56673717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).