3-quinolin-8-yl-2H-phthalazine-1,4-dione

C17H11N3O2 — CID 3243226

IUPAC3-quinolin-8-yl-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(-c2cccc3cccnc23)c(=O)c2ccccc12
InChIInChI=1S/C17H11N3O2/c21-16-12-7-1-2-8-13(12)17(22)20(19-16)14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,21)
InChIKeyMYXBMYBGVJKMLV-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.23
Rot. Bonds1

About 3-quinolin-8-yl-2H-phthalazine-1,4-dione

3-quinolin-8-yl-2H-phthalazine-1,4-dione (PubChem CID 3243226) has the molecular formula C17H11N3O2 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-quinolin-8-yl-2H-phthalazine-1,4-dione.

Molecular Properties

Compound Name3-quinolin-8-yl-2H-phthalazine-1,4-dione
PubChem CID3243226
Molecular FormulaC17H11N3O2
Molecular Weight289.29 g/mol
Exact Mass289.09
IUPAC Name3-quinolin-8-yl-2H-phthalazine-1,4-dione
SMILESO=c1[nH]n(-c2cccc3cccnc23)c(=O)c2ccccc12
InChIInChI=1S/C17H11N3O2/c21-16-12-7-1-2-8-13(12)17(22)20(19-16)14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,21)
InChIKeyMYXBMYBGVJKMLV-UHFFFAOYSA-N
XLogP2.23
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-quinolin-8-yl-2H-phthalazine-1,4-dione?
The IUPAC name of 3-quinolin-8-yl-2H-phthalazine-1,4-dione (CID 3243226) is 3-quinolin-8-yl-2H-phthalazine-1,4-dione.
What is the SMILES notation for 3-quinolin-8-yl-2H-phthalazine-1,4-dione?
The canonical SMILES for 3-quinolin-8-yl-2H-phthalazine-1,4-dione is O=c1[nH]n(-c2cccc3cccnc23)c(=O)c2ccccc12.
What is the InChIKey of 3-quinolin-8-yl-2H-phthalazine-1,4-dione?
The InChIKey is MYXBMYBGVJKMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2/c21-16-12-7-1-2-8-13(12)17(22)20(19-16)14-9-3-5-11-6-4-10-18-15(11)14/h1-10H,(H,19,21).
What are the key properties of 3-quinolin-8-yl-2H-phthalazine-1,4-dione?
3-quinolin-8-yl-2H-phthalazine-1,4-dione has a molecular weight of 289.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-8-yl-2H-phthalazine-1,4-dione is sourced from PubChem (CID 3243226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).