2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol

C18H13IN4O — CID 134812903

IUPAC2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
SMILESOc1cccc2ccc(-c3cn(Cc4ccc(I)cc4)nn3)nc12
InChIInChI=1S/C18H13IN4O/c19-14-7-4-12(5-8-14)10-23-11-16(21-22-23)15-9-6-13-2-1-3-17(24)18(13)20-15/h1-9,11,24H,10H2
InChIKeySJVCDECHBYRDIR-UHFFFAOYSA-N
MW428.23 g/mol
LogP3.85
Rot. Bonds3

About 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol

2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol (PubChem CID 134812903) has the molecular formula C18H13IN4O and a molecular weight of 428.23 g/mol. Its IUPAC name is 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
PubChem CID134812903
Molecular FormulaC18H13IN4O
Molecular Weight428.23 g/mol
Exact Mass428.01
IUPAC Name2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
SMILESOc1cccc2ccc(-c3cn(Cc4ccc(I)cc4)nn3)nc12
InChIInChI=1S/C18H13IN4O/c19-14-7-4-12(5-8-14)10-23-11-16(21-22-23)15-9-6-13-2-1-3-17(24)18(13)20-15/h1-9,11,24H,10H2
InChIKeySJVCDECHBYRDIR-UHFFFAOYSA-N
XLogP3.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
CID 134812901
7-[1-[(4-chlorophenyl)methyl]triazol-4-yl]quinolin-8-ol
CID 134812896
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
4-[2-[4-(8-chloroquinolin-2-yl)triazol-1-yl]ethyl]morpholine
CID 72858911
3-[1-[(4-propan-2-ylphenyl)methyl]triazol-4-yl]phenol
CID 122179796
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814
5-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]pyrimidine
CID 147598461
1-[(4-iodophenyl)methyl]-4-(phenoxymethyl)triazole
CID 169095528
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623925
4-[1-[(3-chlorophenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42624006

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
The IUPAC name of 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol (CID 134812903) is 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol.
What is the SMILES notation for 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
The canonical SMILES for 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol is Oc1cccc2ccc(-c3cn(Cc4ccc(I)cc4)nn3)nc12.
What is the InChIKey of 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
The InChIKey is SJVCDECHBYRDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IN4O/c19-14-7-4-12(5-8-14)10-23-11-16(21-22-23)15-9-6-13-2-1-3-17(24)18(13)20-15/h1-9,11,24H,10H2.
What are the key properties of 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol has a molecular weight of 428.23 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol is sourced from PubChem (CID 134812903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).