2-pentadecanoylphthalazin-1-one

C23H34N2O2 — CID 139700685

IUPAC2-pentadecanoylphthalazin-1-one
SMILESCCCCCCCCCCCCCCC(=O)n1ncc2ccccc2c1=O
InChIInChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22(26)25-23(27)21-17-15-14-16-20(21)19-24-25/h14-17,19H,2-13,18H2,1H3
InChIKeyZOFSZSYLOXDRLC-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.13
Rot. Bonds13

About 2-pentadecanoylphthalazin-1-one

2-pentadecanoylphthalazin-1-one (PubChem CID 139700685) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 2-pentadecanoylphthalazin-1-one.

Molecular Properties

Compound Name2-pentadecanoylphthalazin-1-one
PubChem CID139700685
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name2-pentadecanoylphthalazin-1-one
SMILESCCCCCCCCCCCCCCC(=O)n1ncc2ccccc2c1=O
InChIInChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22(26)25-23(27)21-17-15-14-16-20(21)19-24-25/h14-17,19H,2-13,18H2,1H3
InChIKeyZOFSZSYLOXDRLC-UHFFFAOYSA-N
XLogP6.13
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[4-oxo-5-(2-oxobutylsulfanyl)pentyl]phthalazin-1-one
CID 167672026
5-(1-oxophthalazin-2-yl)pentanoic acid
CID 28971824
2-octadecanoyl-1,2-benzothiazol-3-one
CID 123960050
1-naphthalen-1-yldodecan-1-one
CID 3424169
1-indol-1-yloctadecan-1-one
CID 58661273
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
1-anthracen-9-ylhexadecan-1-one
CID 134887627
heptane;phenanthrene
CID 157482146
2-[2-(ethylamino)butyl]phthalazin-1-one
CID 62041212
N-naphthalen-1-yldodecanamide
CID 588517

Frequently Asked Questions

What is the IUPAC name of 2-pentadecanoylphthalazin-1-one?
The IUPAC name of 2-pentadecanoylphthalazin-1-one (CID 139700685) is 2-pentadecanoylphthalazin-1-one.
What is the SMILES notation for 2-pentadecanoylphthalazin-1-one?
The canonical SMILES for 2-pentadecanoylphthalazin-1-one is CCCCCCCCCCCCCCC(=O)n1ncc2ccccc2c1=O.
What is the InChIKey of 2-pentadecanoylphthalazin-1-one?
The InChIKey is ZOFSZSYLOXDRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-22(26)25-23(27)21-17-15-14-16-20(21)19-24-25/h14-17,19H,2-13,18H2,1H3.
What are the key properties of 2-pentadecanoylphthalazin-1-one?
2-pentadecanoylphthalazin-1-one has a molecular weight of 370.54 g/mol, XLogP of 6.13, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecanoylphthalazin-1-one is sourced from PubChem (CID 139700685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).