8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one

C19H14ClN3O — CID 71743639

IUPAC8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one
SMILESO=c1c2c(Cl)cccc2cnn1CCc1ccc2ccccc2n1
InChIInChI=1S/C19H14ClN3O/c20-16-6-3-5-14-12-21-23(19(24)18(14)16)11-10-15-9-8-13-4-1-2-7-17(13)22-15/h1-9,12H,10-11H2
InChIKeyOTCHMHZDLJGVON-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.84
Rot. Bonds3

About 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one

8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one (PubChem CID 71743639) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one.

Molecular Properties

Compound Name8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one
PubChem CID71743639
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one
SMILESO=c1c2c(Cl)cccc2cnn1CCc1ccc2ccccc2n1
InChIInChI=1S/C19H14ClN3O/c20-16-6-3-5-14-12-21-23(19(24)18(14)16)11-10-15-9-8-13-4-1-2-7-17(13)22-15/h1-9,12H,10-11H2
InChIKeyOTCHMHZDLJGVON-UHFFFAOYSA-N
XLogP3.84
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
The IUPAC name of 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one (CID 71743639) is 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one.
What is the SMILES notation for 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
The canonical SMILES for 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one is O=c1c2c(Cl)cccc2cnn1CCc1ccc2ccccc2n1.
What is the InChIKey of 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
The InChIKey is OTCHMHZDLJGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-16-6-3-5-14-12-21-23(19(24)18(14)16)11-10-15-9-8-13-4-1-2-7-17(13)22-15/h1-9,12H,10-11H2.
What are the key properties of 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one?
8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one has a molecular weight of 335.79 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(2-quinolin-2-ylethyl)phthalazin-1-one is sourced from PubChem (CID 71743639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).