7-methoxy-1-(4-nitrophenyl)phthalazine

C15H11N3O3 — CID 70062622

IUPAC7-methoxy-1-(4-nitrophenyl)phthalazine
SMILESCOc1ccc2cnnc(-c3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C15H11N3O3/c1-21-13-7-4-11-9-16-17-15(14(11)8-13)10-2-5-12(6-3-10)18(19)20/h2-9H,1H3
InChIKeyWKNAKFZFCIGFIY-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.21
Rot. Bonds3

About 7-methoxy-1-(4-nitrophenyl)phthalazine

7-methoxy-1-(4-nitrophenyl)phthalazine (PubChem CID 70062622) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 7-methoxy-1-(4-nitrophenyl)phthalazine.

Molecular Properties

Compound Name7-methoxy-1-(4-nitrophenyl)phthalazine
PubChem CID70062622
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name7-methoxy-1-(4-nitrophenyl)phthalazine
SMILESCOc1ccc2cnnc(-c3ccc([N+](=O)[O-])cc3)c2c1
InChIInChI=1S/C15H11N3O3/c1-21-13-7-4-11-9-16-17-15(14(11)8-13)10-2-5-12(6-3-10)18(19)20/h2-9H,1H3
InChIKeyWKNAKFZFCIGFIY-UHFFFAOYSA-N
XLogP3.21
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(4-nitrophenyl)phthalazine?
The IUPAC name of 7-methoxy-1-(4-nitrophenyl)phthalazine (CID 70062622) is 7-methoxy-1-(4-nitrophenyl)phthalazine.
What is the SMILES notation for 7-methoxy-1-(4-nitrophenyl)phthalazine?
The canonical SMILES for 7-methoxy-1-(4-nitrophenyl)phthalazine is COc1ccc2cnnc(-c3ccc([N+](=O)[O-])cc3)c2c1.
What is the InChIKey of 7-methoxy-1-(4-nitrophenyl)phthalazine?
The InChIKey is WKNAKFZFCIGFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c1-21-13-7-4-11-9-16-17-15(14(11)8-13)10-2-5-12(6-3-10)18(19)20/h2-9H,1H3.
What are the key properties of 7-methoxy-1-(4-nitrophenyl)phthalazine?
7-methoxy-1-(4-nitrophenyl)phthalazine has a molecular weight of 281.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(4-nitrophenyl)phthalazine is sourced from PubChem (CID 70062622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).