5-iodo-2-(2-methylquinolin-8-yl)oxyaniline

C16H13IN2O — CID 66081361

IUPAC5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
SMILESCc1ccc2cccc(Oc3ccc(I)cc3N)c2n1
InChIInChI=1S/C16H13IN2O/c1-10-5-6-11-3-2-4-15(16(11)19-10)20-14-8-7-12(17)9-13(14)18/h2-9H,18H2,1H3
InChIKeyYSNCMWJOLAWTSW-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.52
Rot. Bonds2

About 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline

5-iodo-2-(2-methylquinolin-8-yl)oxyaniline (PubChem CID 66081361) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline.

Molecular Properties

Compound Name5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
PubChem CID66081361
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC Name5-iodo-2-(2-methylquinolin-8-yl)oxyaniline
SMILESCc1ccc2cccc(Oc3ccc(I)cc3N)c2n1
InChIInChI=1S/C16H13IN2O/c1-10-5-6-11-3-2-4-15(16(11)19-10)20-14-8-7-12(17)9-13(14)18/h2-9H,18H2,1H3
InChIKeyYSNCMWJOLAWTSW-UHFFFAOYSA-N
XLogP4.52
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.52
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

2-fluoro-6-(2-methylquinolin-8-yl)oxyaniline
CID 60789943
4-bromo-2-(2-methylquinolin-8-yl)oxyaniline
CID 65342646
(2-methylquinolin-8-yl) 5-iodo-2-methylbenzenesulfonate
CID 21240209
2-methyl-5-(2-methylquinolin-8-yl)oxyquinolin-8-ol
CID 143770480
[3-bromo-4-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 82785114
[5-chloro-2-(2-methylquinolin-8-yl)oxyphenyl]methanamine
CID 62493343
2-(2-methylquinolin-8-yl)oxypyrimidin-4-amine
CID 116797777
2-(4-tert-butyl-2-methylphenoxy)-5-iodoaniline
CID 66080569
CID 20665518
CID 20665518
2-(1-bromonaphthalen-2-yl)oxy-5-iodoaniline
CID 66081956
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
4-hydrazinyl-6-(2-methylquinolin-8-yl)oxypyrimidin-2-amine
CID 80912967

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline?
The IUPAC name of 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline (CID 66081361) is 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline.
What is the SMILES notation for 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline?
The canonical SMILES for 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline is Cc1ccc2cccc(Oc3ccc(I)cc3N)c2n1.
What is the InChIKey of 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline?
The InChIKey is YSNCMWJOLAWTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c1-10-5-6-11-3-2-4-15(16(11)19-10)20-14-8-7-12(17)9-13(14)18/h2-9H,18H2,1H3.
What are the key properties of 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline?
5-iodo-2-(2-methylquinolin-8-yl)oxyaniline has a molecular weight of 376.20 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2-methylquinolin-8-yl)oxyaniline is sourced from PubChem (CID 66081361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).