7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one

C15H12FN3O2 — CID 175748897

IUPAC7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one
SMILESCn1ccc(-c2cc3cnn(C)c(=O)c3cc2F)cc1=O
InChIInChI=1S/C15H12FN3O2/c1-18-4-3-9(6-14(18)20)11-5-10-8-17-19(2)15(21)12(10)7-13(11)16/h3-8H,1-2H3
InChIKeyZSZJILVDMWJIJB-UHFFFAOYSA-N
MW285.28 g/mol
LogP1.44
Rot. Bonds1

About 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one

7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one (PubChem CID 175748897) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one
PubChem CID175748897
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one
SMILESCn1ccc(-c2cc3cnn(C)c(=O)c3cc2F)cc1=O
InChIInChI=1S/C15H12FN3O2/c1-18-4-3-9(6-14(18)20)11-5-10-8-17-19(2)15(21)12(10)7-13(11)16/h3-8H,1-2H3
InChIKeyZSZJILVDMWJIJB-UHFFFAOYSA-N
XLogP1.44
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one?
The IUPAC name of 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one (CID 175748897) is 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one.
What is the SMILES notation for 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one?
The canonical SMILES for 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one is Cn1ccc(-c2cc3cnn(C)c(=O)c3cc2F)cc1=O.
What is the InChIKey of 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one?
The InChIKey is ZSZJILVDMWJIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-18-4-3-9(6-14(18)20)11-5-10-8-17-19(2)15(21)12(10)7-13(11)16/h3-8H,1-2H3.
What are the key properties of 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one?
7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one has a molecular weight of 285.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-6-(1-methyl-2-oxo-4-pyridinyl)phthalazin-1-one is sourced from PubChem (CID 175748897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).