(5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione

C16H12N2O3 — CID 162930504

IUPAC(5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione
SMILESO=C1c2ccccc2[C@H](O)N2C(=O)c3ccccc3CN12
InChIInChI=1S/C16H12N2O3/c19-14-12-7-3-4-8-13(12)16(21)18-15(20)11-6-2-1-5-10(11)9-17(14)18/h1-8,16,21H,9H2/t16-/m0/s1
InChIKeyJDMSLJGYOGKZLD-INIZCTEOSA-N
MW280.28 g/mol
LogP1.70
Rot. Bonds

About (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione

(5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione (PubChem CID 162930504) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione.

Molecular Properties

Compound Name(5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione
PubChem CID162930504
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name(5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione
SMILESO=C1c2ccccc2[C@H](O)N2C(=O)c3ccccc3CN12
InChIInChI=1S/C16H12N2O3/c19-14-12-7-3-4-8-13(12)16(21)18-15(20)11-6-2-1-5-10(11)9-17(14)18/h1-8,16,21H,9H2/t16-/m0/s1
InChIKeyJDMSLJGYOGKZLD-INIZCTEOSA-N
XLogP1.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione?
The IUPAC name of (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione (CID 162930504) is (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione.
What is the SMILES notation for (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione?
The canonical SMILES for (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione is O=C1c2ccccc2[C@H](O)N2C(=O)c3ccccc3CN12.
What is the InChIKey of (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione?
The InChIKey is JDMSLJGYOGKZLD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-14-12-7-3-4-8-13(12)16(21)18-15(20)11-6-2-1-5-10(11)9-17(14)18/h1-8,16,21H,9H2/t16-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione?
(5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione has a molecular weight of 280.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5,12-dihydrophthalazino[3,2-b]phthalazine-7,14-dione is sourced from PubChem (CID 162930504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).