2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline

C23H20N6O — CID 59472591

IUPAC2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
SMILESCOc1cc(-c2cn(Cc3ccc4ccccc4n3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20N6O/c1-16-12-28(15-24-16)22-10-8-18(11-23(22)30-2)21-14-29(27-26-21)13-19-9-7-17-5-3-4-6-20(17)25-19/h3-12,14-15H,13H2,1-2H3
InChIKeyJXEABYXFHSCSGY-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.04
Rot. Bonds5

About 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline

2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline (PubChem CID 59472591) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
PubChem CID59472591
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC Name2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline
SMILESCOc1cc(-c2cn(Cc3ccc4ccccc4n3)nn2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H20N6O/c1-16-12-28(15-24-16)22-10-8-18(11-23(22)30-2)21-14-29(27-26-21)13-19-9-7-17-5-3-4-6-20(17)25-19/h3-12,14-15H,13H2,1-2H3
InChIKeyJXEABYXFHSCSGY-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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Related Compounds

4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(phenylsulfanylmethyl)triazole
CID 25124453
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-(2-phenylethyl)triazole
CID 59472498
4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-[(4-pyrrol-1-ylphenyl)methyl]triazole
CID 59472774
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]ethanone
CID 59472771
[2-[4-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazol-4-yl] 2,2,2-trifluoroacetate
CID 140553073
1-benzyl-3-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidin-2-one
CID 59472614
2-[4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]piperidin-1-yl]-1,3-benzoxazole
CID 59472466
4-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-3-phenyl-1H-pyridazin-6-one
CID 59472479
2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 134132506
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]acetamide
CID 59472728
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
CID 66857127

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
The IUPAC name of 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline (CID 59472591) is 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline is COc1cc(-c2cn(Cc3ccc4ccccc4n3)nn2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
The InChIKey is JXEABYXFHSCSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c1-16-12-28(15-24-16)22-10-8-18(11-23(22)30-2)21-14-29(27-26-21)13-19-9-7-17-5-3-4-6-20(17)25-19/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline?
2-[[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 2-[[4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]quinoline is sourced from PubChem (CID 59472591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).