2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol

C15H9ClFIN2O — CID 44532439

IUPAC2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol
SMILESOc1cc(Nc2ccnc3cc(I)ccc23)c(F)cc1Cl
InChIInChI=1S/C15H9ClFIN2O/c16-10-6-11(17)14(7-15(10)21)20-12-3-4-19-13-5-8(18)1-2-9(12)13/h1-7,21H,(H,19,20)
InChIKeyAMAWGOBSJBIUFT-UHFFFAOYSA-N
MW414.61 g/mol
LogP5.08
Rot. Bonds2

About 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol

2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol (PubChem CID 44532439) has the molecular formula C15H9ClFIN2O and a molecular weight of 414.61 g/mol. Its IUPAC name is 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol
PubChem CID44532439
Molecular FormulaC15H9ClFIN2O
Molecular Weight414.61 g/mol
Exact Mass413.94
IUPAC Name2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol
SMILESOc1cc(Nc2ccnc3cc(I)ccc23)c(F)cc1Cl
InChIInChI=1S/C15H9ClFIN2O/c16-10-6-11(17)14(7-15(10)21)20-12-3-4-19-13-5-8(18)1-2-9(12)13/h1-7,21H,(H,19,20)
InChIKeyAMAWGOBSJBIUFT-UHFFFAOYSA-N
XLogP5.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol?
The IUPAC name of 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol (CID 44532439) is 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol.
What is the SMILES notation for 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol?
The canonical SMILES for 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol is Oc1cc(Nc2ccnc3cc(I)ccc23)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol?
The InChIKey is AMAWGOBSJBIUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFIN2O/c16-10-6-11(17)14(7-15(10)21)20-12-3-4-19-13-5-8(18)1-2-9(12)13/h1-7,21H,(H,19,20).
What are the key properties of 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol?
2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol has a molecular weight of 414.61 g/mol, XLogP of 5.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-5-[(7-iodoquinolin-4-yl)amino]phenol is sourced from PubChem (CID 44532439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).