8-(4-iodophenoxy)-5-nitroquinoline

C15H9IN2O3 — CID 60726010

IUPAC8-(4-iodophenoxy)-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(Oc2ccc(I)cc2)c2ncccc12
InChIInChI=1S/C15H9IN2O3/c16-10-3-5-11(6-4-10)21-14-8-7-13(18(19)20)12-2-1-9-17-15(12)14/h1-9H
InChIKeyZXSOMISLXYFJFG-UHFFFAOYSA-N
MW392.15 g/mol
LogP4.54
Rot. Bonds3

About 8-(4-iodophenoxy)-5-nitroquinoline

8-(4-iodophenoxy)-5-nitroquinoline (PubChem CID 60726010) has the molecular formula C15H9IN2O3 and a molecular weight of 392.15 g/mol. Its IUPAC name is 8-(4-iodophenoxy)-5-nitroquinoline.

Molecular Properties

Compound Name8-(4-iodophenoxy)-5-nitroquinoline
PubChem CID60726010
Molecular FormulaC15H9IN2O3
Molecular Weight392.15 g/mol
Exact Mass391.97
IUPAC Name8-(4-iodophenoxy)-5-nitroquinoline
SMILESO=[N+]([O-])c1ccc(Oc2ccc(I)cc2)c2ncccc12
InChIInChI=1S/C15H9IN2O3/c16-10-3-5-11(6-4-10)21-14-8-7-13(18(19)20)12-2-1-9-17-15(12)14/h1-9H
InChIKeyZXSOMISLXYFJFG-UHFFFAOYSA-N
XLogP4.54
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.15
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(5-nitroquinolin-8-yl)oxyphenyl]propanamide
CID 133429749
4-(8-nitroquinolin-5-yl)oxyaniline
CID 8002854
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
(5-nitroquinolin-8-yl) 2-methylprop-2-enoate
CID 19748562
methyl (5-nitroquinolin-8-yl) hydrogen phosphate
CID 146455565
N'-hydroxy-2-(5-nitroquinolin-8-yl)oxyethanimidamide
CID 71320044
(1S)-2-(5-nitroquinolin-8-yl)oxy-1-phenylethanol
CID 97243367
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
5-nitro-6-(5-nitroquinolin-8-yl)oxyimidazo[2,1-b][1,3]thiazole
CID 18230478

Frequently Asked Questions

What is the IUPAC name of 8-(4-iodophenoxy)-5-nitroquinoline?
The IUPAC name of 8-(4-iodophenoxy)-5-nitroquinoline (CID 60726010) is 8-(4-iodophenoxy)-5-nitroquinoline.
What is the SMILES notation for 8-(4-iodophenoxy)-5-nitroquinoline?
The canonical SMILES for 8-(4-iodophenoxy)-5-nitroquinoline is O=[N+]([O-])c1ccc(Oc2ccc(I)cc2)c2ncccc12.
What is the InChIKey of 8-(4-iodophenoxy)-5-nitroquinoline?
The InChIKey is ZXSOMISLXYFJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IN2O3/c16-10-3-5-11(6-4-10)21-14-8-7-13(18(19)20)12-2-1-9-17-15(12)14/h1-9H.
What are the key properties of 8-(4-iodophenoxy)-5-nitroquinoline?
8-(4-iodophenoxy)-5-nitroquinoline has a molecular weight of 392.15 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-iodophenoxy)-5-nitroquinoline is sourced from PubChem (CID 60726010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).