6-nitro-2-propyl-6H-quinazolin-4-one

C11H11N3O3 — CID 73189658

IUPAC6-nitro-2-propyl-6H-quinazolin-4-one
SMILESCCCC1=NC(=O)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C11H11N3O3/c1-2-3-10-12-9-5-4-7(14(16)17)6-8(9)11(15)13-10/h4-7H,2-3H2,1H3
InChIKeyJYGLPAIUZIDYPD-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.31
Rot. Bonds3

About 6-nitro-2-propyl-6H-quinazolin-4-one

6-nitro-2-propyl-6H-quinazolin-4-one (PubChem CID 73189658) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-nitro-2-propyl-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-nitro-2-propyl-6H-quinazolin-4-one
PubChem CID73189658
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-nitro-2-propyl-6H-quinazolin-4-one
SMILESCCCC1=NC(=O)C2=CC([N+](=O)[O-])C=CC2=N1
InChIInChI=1S/C11H11N3O3/c1-2-3-10-12-9-5-4-7(14(16)17)6-8(9)11(15)13-10/h4-7H,2-3H2,1H3
InChIKeyJYGLPAIUZIDYPD-UHFFFAOYSA-N
XLogP1.31
TPSA84.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.31
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'}

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Related Compounds

3-oxido-6H-quinazolin-3-ium-4-one
CID 21530174
6-nitro-6H-quinazolin-4-one
CID 71303991
3-methyl-5-nitro-5H-isoquinolin-1-one
CID 75965952
2-amino-6-nitro-6H-quinazolin-4-one
CID 76845153
2-methyl-6-nitro-6H-quinazolin-4-one
CID 78175589
2-amino-5-chloro-6-nitro-6H-quinazolin-4-one
CID 178186219

Frequently Asked Questions

What is the IUPAC name of 6-nitro-2-propyl-6H-quinazolin-4-one?
The IUPAC name of 6-nitro-2-propyl-6H-quinazolin-4-one (CID 73189658) is 6-nitro-2-propyl-6H-quinazolin-4-one.
What is the SMILES notation for 6-nitro-2-propyl-6H-quinazolin-4-one?
The canonical SMILES for 6-nitro-2-propyl-6H-quinazolin-4-one is CCCC1=NC(=O)C2=CC([N+](=O)[O-])C=CC2=N1.
What is the InChIKey of 6-nitro-2-propyl-6H-quinazolin-4-one?
The InChIKey is JYGLPAIUZIDYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-3-10-12-9-5-4-7(14(16)17)6-8(9)11(15)13-10/h4-7H,2-3H2,1H3.
What are the key properties of 6-nitro-2-propyl-6H-quinazolin-4-one?
6-nitro-2-propyl-6H-quinazolin-4-one has a molecular weight of 233.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2-propyl-6H-quinazolin-4-one is sourced from PubChem (CID 73189658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).