7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol

C18H13IN4O — CID 134812901

IUPAC7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
SMILESOc1c(-c2cn(Cc3ccc(I)cc3)nn2)ccc2cccnc12
InChIInChI=1S/C18H13IN4O/c19-14-6-3-12(4-7-14)10-23-11-16(21-22-23)15-8-5-13-2-1-9-20-17(13)18(15)24/h1-9,11,24H,10H2
InChIKeyOYWFADLZWIVTBL-UHFFFAOYSA-N
MW428.23 g/mol
LogP3.85
Rot. Bonds3

About 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol

7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol (PubChem CID 134812901) has the molecular formula C18H13IN4O and a molecular weight of 428.23 g/mol. Its IUPAC name is 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol.

Molecular Properties

Compound Name7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
PubChem CID134812901
Molecular FormulaC18H13IN4O
Molecular Weight428.23 g/mol
Exact Mass428.01
IUPAC Name7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
SMILESOc1c(-c2cn(Cc3ccc(I)cc3)nn2)ccc2cccnc12
InChIInChI=1S/C18H13IN4O/c19-14-6-3-12(4-7-14)10-23-11-16(21-22-23)15-8-5-13-2-1-9-20-17(13)18(15)24/h1-9,11,24H,10H2
InChIKeyOYWFADLZWIVTBL-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-chlorophenyl)methyl]triazol-4-yl]quinolin-8-ol
CID 134812896
2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
CID 134812903
3-[1-[(4-phenoxyphenyl)methyl]triazol-4-yl]pyridin-2-amine
CID 58399261
2-[1-[(4-methylphenyl)methyl]triazol-4-yl]pyridine
CID 102291275
8-[[4-[3-(difluoromethyl)-1-methylpyrazol-4-yl]triazol-1-yl]methyl]quinoline
CID 167769588
5-naphthalen-1-ylquinolin-8-ol;zinc
CID 20606771
1-[(4-iodophenyl)methyl]-4-(phenoxymethyl)triazole
CID 169095528
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-8-ol
CID 137052789
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
CID 139068271
iron(2+);2,3,4,5,6-pentachlorophenol;1,10-phenanthroline
CID 158371036
4-[1-[(4-methylphenyl)methyl]triazol-4-yl]-6-propan-2-ylbenzene-1,3-diol
CID 42623925
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814

Frequently Asked Questions

What is the IUPAC name of 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
The IUPAC name of 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol (CID 134812901) is 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol.
What is the SMILES notation for 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
The canonical SMILES for 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol is Oc1c(-c2cn(Cc3ccc(I)cc3)nn2)ccc2cccnc12.
What is the InChIKey of 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
The InChIKey is OYWFADLZWIVTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13IN4O/c19-14-6-3-12(4-7-14)10-23-11-16(21-22-23)15-8-5-13-2-1-9-20-17(13)18(15)24/h1-9,11,24H,10H2.
What are the key properties of 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol?
7-[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 7-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol is sourced from PubChem (CID 134812901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).