6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione

C15H10N2O2 — CID 3595287

IUPAC6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1NC2c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C15H10N2O2/c18-14-11-7-3-4-8-12(11)17-13(16-14)9-5-1-2-6-10(9)15(17)19/h1-8,13H,(H,16,18)
InChIKeyVLBOEFXWNLNKHU-UHFFFAOYSA-N
MW250.26 g/mol
LogP2.09
Rot. Bonds

About 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione

6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 3595287) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID3595287
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1NC2c3ccccc3C(=O)N2c2ccccc21
InChIInChI=1S/C15H10N2O2/c18-14-11-7-3-4-8-12(11)17-13(16-14)9-5-1-2-6-10(9)15(17)19/h1-8,13H,(H,16,18)
InChIKeyVLBOEFXWNLNKHU-UHFFFAOYSA-N
XLogP2.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione (CID 3595287) is 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione is O=C1NC2c3ccccc3C(=O)N2c2ccccc21.
What is the InChIKey of 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is VLBOEFXWNLNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c18-14-11-7-3-4-8-12(11)17-13(16-14)9-5-1-2-6-10(9)15(17)19/h1-8,13H,(H,16,18).
What are the key properties of 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione?
6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 250.26 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a-dihydroisoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 3595287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).