1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine

C20H15N3O — CID 2946660

IUPAC1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine
SMILESc1ccc(-c2nnc(OCc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(23-22-19)24-14-15-7-6-12-21-13-15/h1-13H,14H2
InChIKeyFXBFPDZLJOYWDW-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.27
Rot. Bonds4

About 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine

1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine (PubChem CID 2946660) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine.

Molecular Properties

Compound Name1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine
PubChem CID2946660
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine
SMILESc1ccc(-c2nnc(OCc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(23-22-19)24-14-15-7-6-12-21-13-15/h1-13H,14H2
InChIKeyFXBFPDZLJOYWDW-UHFFFAOYSA-N
XLogP4.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine?
The IUPAC name of 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine (CID 2946660) is 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine.
What is the SMILES notation for 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine?
The canonical SMILES for 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine is c1ccc(-c2nnc(OCc3cccnc3)c3ccccc23)cc1.
What is the InChIKey of 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine?
The InChIKey is FXBFPDZLJOYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-2-8-16(9-3-1)19-17-10-4-5-11-18(17)20(23-22-19)24-14-15-7-6-12-21-13-15/h1-13H,14H2.
What are the key properties of 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine?
1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine has a molecular weight of 313.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(pyridin-3-ylmethoxy)phthalazine is sourced from PubChem (CID 2946660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).