4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one

C13H8IN3O2 — CID 66314256

IUPAC4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccc3cccnc23)nc(O)c1I
InChIInChI=1S/C13H8IN3O2/c14-9-12(18)16-11(17-13(9)19)8-5-1-3-7-4-2-6-15-10(7)8/h1-6H,(H2,16,17,18,19)
InChIKeyVJGIPLUXKXSTET-UHFFFAOYSA-N
MW365.13 g/mol
LogP2.30
Rot. Bonds1

About 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one

4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one (PubChem CID 66314256) has the molecular formula C13H8IN3O2 and a molecular weight of 365.13 g/mol. Its IUPAC name is 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
PubChem CID66314256
Molecular FormulaC13H8IN3O2
Molecular Weight365.13 g/mol
Exact Mass364.97
IUPAC Name4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cccc3cccnc23)nc(O)c1I
InChIInChI=1S/C13H8IN3O2/c14-9-12(18)16-11(17-13(9)19)8-5-1-3-7-4-2-6-15-10(7)8/h1-6H,(H2,16,17,18,19)
InChIKeyVJGIPLUXKXSTET-UHFFFAOYSA-N
XLogP2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.13
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one (CID 66314256) is 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2cccc3cccnc23)nc(O)c1I.
What is the InChIKey of 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one?
The InChIKey is VJGIPLUXKXSTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O2/c14-9-12(18)16-11(17-13(9)19)8-5-1-3-7-4-2-6-15-10(7)8/h1-6H,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one?
4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one has a molecular weight of 365.13 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-iodo-2-quinolin-8-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 66314256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).