8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one

C15H9N3O3 — CID 10446303

IUPAC8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one
SMILESO=C1c2ccccc2C2=Nc3ccc([N+](=O)[O-])cc3CN12
InChIInChI=1S/C15H9N3O3/c19-15-12-4-2-1-3-11(12)14-16-13-6-5-10(18(20)21)7-9(13)8-17(14)15/h1-7H,8H2
InChIKeyGYMCJMPLGBTTQG-UHFFFAOYSA-N
MW279.25 g/mol
LogP2.64
Rot. Bonds1

About 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one

8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one (PubChem CID 10446303) has the molecular formula C15H9N3O3 and a molecular weight of 279.25 g/mol. Its IUPAC name is 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one.

Molecular Properties

Compound Name8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one
PubChem CID10446303
Molecular FormulaC15H9N3O3
Molecular Weight279.25 g/mol
Exact Mass279.06
IUPAC Name8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one
SMILESO=C1c2ccccc2C2=Nc3ccc([N+](=O)[O-])cc3CN12
InChIInChI=1S/C15H9N3O3/c19-15-12-4-2-1-3-11(12)14-16-13-6-5-10(18(20)21)7-9(13)8-17(14)15/h1-7H,8H2
InChIKeyGYMCJMPLGBTTQG-UHFFFAOYSA-N
XLogP2.64
TPSA75.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one?
The IUPAC name of 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one (CID 10446303) is 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one.
What is the SMILES notation for 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one?
The canonical SMILES for 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one is O=C1c2ccccc2C2=Nc3ccc([N+](=O)[O-])cc3CN12.
What is the InChIKey of 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one?
The InChIKey is GYMCJMPLGBTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c19-15-12-4-2-1-3-11(12)14-16-13-6-5-10(18(20)21)7-9(13)8-17(14)15/h1-7H,8H2.
What are the key properties of 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one?
8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one has a molecular weight of 279.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-nitro-10H-isoindolo[1,2-b]quinazolin-12-one is sourced from PubChem (CID 10446303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).