(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium

C15H11INO3+ — CID 54721277

IUPAC(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium
SMILESO=c1c([I+]c2ccccc2)c(O)c2ccccc2n1O
InChIInChI=1S/C15H10INO3/c18-14-11-8-4-5-9-12(11)17(20)15(19)13(14)16-10-6-2-1-3-7-10/h1-9,20H/p+1
InChIKeyRKABVKDBVMYJEV-UHFFFAOYSA-O
MW380.16 g/mol
LogP-0.93
Rot. Bonds2

About (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium

(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium (PubChem CID 54721277) has the molecular formula C15H11INO3+ and a molecular weight of 380.16 g/mol. Its IUPAC name is (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium.

Molecular Properties

Compound Name(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium
PubChem CID54721277
Molecular FormulaC15H11INO3+
Molecular Weight380.16 g/mol
Exact Mass379.98
IUPAC Name(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium
SMILESO=c1c([I+]c2ccccc2)c(O)c2ccccc2n1O
InChIInChI=1S/C15H10INO3/c18-14-11-8-4-5-9-12(11)17(20)15(19)13(14)16-10-6-2-1-3-7-10/h1-9,20H/p+1
InChIKeyRKABVKDBVMYJEV-UHFFFAOYSA-O
XLogP-0.93
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium?
The IUPAC name of (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium (CID 54721277) is (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium.
What is the SMILES notation for (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium?
The canonical SMILES for (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium is O=c1c([I+]c2ccccc2)c(O)c2ccccc2n1O.
What is the InChIKey of (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium?
The InChIKey is RKABVKDBVMYJEV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H10INO3/c18-14-11-8-4-5-9-12(11)17(20)15(19)13(14)16-10-6-2-1-3-7-10/h1-9,20H/p+1.
What are the key properties of (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium?
(1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium has a molecular weight of 380.16 g/mol, XLogP of -0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dihydroxy-2-oxoquinolin-3-yl)-phenyliodanium is sourced from PubChem (CID 54721277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).