2-(quinolin-2-ylmethyl)phthalazin-1-one

C18H13N3O — CID 72909560

IUPAC2-(quinolin-2-ylmethyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H13N3O/c22-18-16-7-3-1-6-14(16)11-19-21(18)12-15-10-9-13-5-2-4-8-17(13)20-15/h1-11H,12H2
InChIKeyYLVCLAJHHALYKN-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.99
Rot. Bonds2

About 2-(quinolin-2-ylmethyl)phthalazin-1-one

2-(quinolin-2-ylmethyl)phthalazin-1-one (PubChem CID 72909560) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(quinolin-2-ylmethyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(quinolin-2-ylmethyl)phthalazin-1-one
PubChem CID72909560
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-(quinolin-2-ylmethyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1Cc1ccc2ccccc2n1
InChIInChI=1S/C18H13N3O/c22-18-16-7-3-1-6-14(16)11-19-21(18)12-15-10-9-13-5-2-4-8-17(13)20-15/h1-11H,12H2
InChIKeyYLVCLAJHHALYKN-UHFFFAOYSA-N
XLogP2.99
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(quinolin-2-ylmethyl)phthalazin-1-one?
The IUPAC name of 2-(quinolin-2-ylmethyl)phthalazin-1-one (CID 72909560) is 2-(quinolin-2-ylmethyl)phthalazin-1-one.
What is the SMILES notation for 2-(quinolin-2-ylmethyl)phthalazin-1-one?
The canonical SMILES for 2-(quinolin-2-ylmethyl)phthalazin-1-one is O=c1c2ccccc2cnn1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-(quinolin-2-ylmethyl)phthalazin-1-one?
The InChIKey is YLVCLAJHHALYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c22-18-16-7-3-1-6-14(16)11-19-21(18)12-15-10-9-13-5-2-4-8-17(13)20-15/h1-11H,12H2.
What are the key properties of 2-(quinolin-2-ylmethyl)phthalazin-1-one?
2-(quinolin-2-ylmethyl)phthalazin-1-one has a molecular weight of 287.32 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinolin-2-ylmethyl)phthalazin-1-one is sourced from PubChem (CID 72909560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).