2-(4-cyclopropylphenyl)phthalazin-1-one

C17H14N2O — CID 155730870

IUPAC2-(4-cyclopropylphenyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc(C2CC2)cc1
InChIInChI=1S/C17H14N2O/c20-17-16-4-2-1-3-14(16)11-18-19(17)15-9-7-13(8-10-15)12-5-6-12/h1-4,7-12H,5-6H2
InChIKeyZQFNGSDPCZLUAK-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.26
Rot. Bonds2

About 2-(4-cyclopropylphenyl)phthalazin-1-one

2-(4-cyclopropylphenyl)phthalazin-1-one (PubChem CID 155730870) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(4-cyclopropylphenyl)phthalazin-1-one
PubChem CID155730870
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-(4-cyclopropylphenyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1-c1ccc(C2CC2)cc1
InChIInChI=1S/C17H14N2O/c20-17-16-4-2-1-3-14(16)11-18-19(17)15-9-7-13(8-10-15)12-5-6-12/h1-4,7-12H,5-6H2
InChIKeyZQFNGSDPCZLUAK-UHFFFAOYSA-N
XLogP3.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylphenyl)phthalazin-1-one
CID 71501176
2-[3-(trifluoromethyl)phenyl]phthalazin-1-one
CID 2380587
2-(4,5-dihydro-1H-imidazol-3-ium-2-yl)phthalazin-1-one iodide
CID 139056274
2-[2-oxo-2-(4-pyridin-4-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 16674895
2-[2-(1-oxophthalazin-2-yl)sulfanylcyclohexyl]sulfanylphthalazin-1-one
CID 21495881
2-(4-methylcyclohexyl)phthalazin-1-one
CID 155730849
N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-(1-oxophthalazin-2-yl)benzamide
CID 91638773
2-pyrrolidin-3-ylphthalazin-1-one
CID 82105279
2-imidazo[1,2-a]pyridin-2-ylphthalazin-1-one
CID 164974803
2-[4-[2-[(2S,3R,4S,5R)-4-[hydroxy(dimethyl)silyl]-5-(2-hydroxyethyl)-3-methyloxolan-2-yl]ethyl]phenyl]phthalazin-1-one
CID 23985447
6-nitro-2-phenylphthalazin-1-one
CID 86148503
6-phenylpyrido[2,3-d]pyridazin-5-one
CID 102495888

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)phthalazin-1-one?
The IUPAC name of 2-(4-cyclopropylphenyl)phthalazin-1-one (CID 155730870) is 2-(4-cyclopropylphenyl)phthalazin-1-one.
What is the SMILES notation for 2-(4-cyclopropylphenyl)phthalazin-1-one?
The canonical SMILES for 2-(4-cyclopropylphenyl)phthalazin-1-one is O=c1c2ccccc2cnn1-c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(4-cyclopropylphenyl)phthalazin-1-one?
The InChIKey is ZQFNGSDPCZLUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-17-16-4-2-1-3-14(16)11-18-19(17)15-9-7-13(8-10-15)12-5-6-12/h1-4,7-12H,5-6H2.
What are the key properties of 2-(4-cyclopropylphenyl)phthalazin-1-one?
2-(4-cyclopropylphenyl)phthalazin-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylphenyl)phthalazin-1-one is sourced from PubChem (CID 155730870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).