7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione

C16H12N2O2 — CID 576025

IUPAC7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione
SMILESO=c1c2ccccc2c(=O)n2n1Cc1ccccc1C2
InChIInChI=1S/C16H12N2O2/c19-15-13-7-3-4-8-14(13)16(20)18-10-12-6-2-1-5-11(12)9-17(15)18/h1-8H,9-10H2
InChIKeyCBNXJVNLZZCZGU-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.57
Rot. Bonds

About 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione

7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione (PubChem CID 576025) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione.

Molecular Properties

Compound Name7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione
PubChem CID576025
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione
SMILESO=c1c2ccccc2c(=O)n2n1Cc1ccccc1C2
InChIInChI=1S/C16H12N2O2/c19-15-13-7-3-4-8-14(13)16(20)18-10-12-6-2-1-5-11(12)9-17(15)18/h1-8H,9-10H2
InChIKeyCBNXJVNLZZCZGU-UHFFFAOYSA-N
XLogP1.57
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione?
The IUPAC name of 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione (CID 576025) is 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione.
What is the SMILES notation for 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione?
The canonical SMILES for 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione is O=c1c2ccccc2c(=O)n2n1Cc1ccccc1C2.
What is the InChIKey of 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione?
The InChIKey is CBNXJVNLZZCZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-13-7-3-4-8-14(13)16(20)18-10-12-6-2-1-5-11(12)9-17(15)18/h1-8H,9-10H2.
What are the key properties of 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione?
7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione has a molecular weight of 264.28 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-dihydrophthalazino[2,3-b]phthalazine-5,14-dione is sourced from PubChem (CID 576025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).