3-iodo-4-quinolin-3-yloxyaniline

C15H11IN2O — CID 107386952

IUPAC3-iodo-4-quinolin-3-yloxyaniline
SMILESNc1ccc(Oc2cnc3ccccc3c2)c(I)c1
InChIInChI=1S/C15H11IN2O/c16-13-8-11(17)5-6-15(13)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9H,17H2
InChIKeyHCCUSAJMXLFJBT-UHFFFAOYSA-N
MW362.17 g/mol
LogP4.21
Rot. Bonds2

About 3-iodo-4-quinolin-3-yloxyaniline

3-iodo-4-quinolin-3-yloxyaniline (PubChem CID 107386952) has the molecular formula C15H11IN2O and a molecular weight of 362.17 g/mol. Its IUPAC name is 3-iodo-4-quinolin-3-yloxyaniline.

Molecular Properties

Compound Name3-iodo-4-quinolin-3-yloxyaniline
PubChem CID107386952
Molecular FormulaC15H11IN2O
Molecular Weight362.17 g/mol
Exact Mass361.99
IUPAC Name3-iodo-4-quinolin-3-yloxyaniline
SMILESNc1ccc(Oc2cnc3ccccc3c2)c(I)c1
InChIInChI=1S/C15H11IN2O/c16-13-8-11(17)5-6-15(13)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9H,17H2
InChIKeyHCCUSAJMXLFJBT-UHFFFAOYSA-N
XLogP4.21
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-5-iodo-2-quinolin-3-yloxyaniline
CID 107386951
5-chloro-2-quinolin-3-yloxyaniline
CID 107386897
3-amino-4-quinolin-3-yloxybenzoic acid
CID 107387663
2-amino-3-quinolin-3-yloxybenzoic acid
CID 107387664
4-(6-bromonaphthalen-2-yl)oxy-3-iodoaniline
CID 66093379
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
3-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 107387584
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
(4-bromo-2-quinolin-3-yloxyphenyl)methanamine
CID 107386867
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-quinolin-3-yloxyaniline?
The IUPAC name of 3-iodo-4-quinolin-3-yloxyaniline (CID 107386952) is 3-iodo-4-quinolin-3-yloxyaniline.
What is the SMILES notation for 3-iodo-4-quinolin-3-yloxyaniline?
The canonical SMILES for 3-iodo-4-quinolin-3-yloxyaniline is Nc1ccc(Oc2cnc3ccccc3c2)c(I)c1.
What is the InChIKey of 3-iodo-4-quinolin-3-yloxyaniline?
The InChIKey is HCCUSAJMXLFJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O/c16-13-8-11(17)5-6-15(13)19-12-7-10-3-1-2-4-14(10)18-9-12/h1-9H,17H2.
What are the key properties of 3-iodo-4-quinolin-3-yloxyaniline?
3-iodo-4-quinolin-3-yloxyaniline has a molecular weight of 362.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-quinolin-3-yloxyaniline is sourced from PubChem (CID 107386952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).