6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

C15H10N2O3 — CID 3238645

IUPAC6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3C2N1O
InChIInChI=1S/C15H10N2O3/c18-14-10-6-2-1-5-9(10)13-16(14)12-8-4-3-7-11(12)15(19)17(13)20/h1-8,13,20H
InChIKeyCMQQFBSFQVDHII-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.19
Rot. Bonds

About 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (PubChem CID 3238645) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.

Molecular Properties

Compound Name6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
PubChem CID3238645
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione
SMILESO=C1c2ccccc2N2C(=O)c3ccccc3C2N1O
InChIInChI=1S/C15H10N2O3/c18-14-10-6-2-1-5-9(10)13-16(14)12-8-4-3-7-11(12)15(19)17(13)20/h1-8,13,20H
InChIKeyCMQQFBSFQVDHII-UHFFFAOYSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The IUPAC name of 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione (CID 3238645) is 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione.
What is the SMILES notation for 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The canonical SMILES for 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is O=C1c2ccccc2N2C(=O)c3ccccc3C2N1O.
What is the InChIKey of 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
The InChIKey is CMQQFBSFQVDHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-14-10-6-2-1-5-9(10)13-16(14)12-8-4-3-7-11(12)15(19)17(13)20/h1-8,13,20H.
What are the key properties of 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione?
6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione has a molecular weight of 266.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6aH-isoindolo[2,3-a]quinazoline-5,11-dione is sourced from PubChem (CID 3238645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).