N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide

C22H19N3O2 — CID 3958187

IUPACN-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C22H19N3O2/c1-2-14-25-22(27)18-12-6-5-11-17(18)20(24-25)21(26)23-19-13-7-9-15-8-3-4-10-16(15)19/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyZSIVHDIIHQHAAF-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.21
Rot. Bonds4

About N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide

N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide (PubChem CID 3958187) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
PubChem CID3958187
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
SMILESCCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc2c1=O
InChIInChI=1S/C22H19N3O2/c1-2-14-25-22(27)18-12-6-5-11-17(18)20(24-25)21(26)23-19-13-7-9-15-8-3-4-10-16(15)19/h3-13H,2,14H2,1H3,(H,23,26)
InChIKeyZSIVHDIIHQHAAF-UHFFFAOYSA-N
XLogP4.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2506129
3-butyl-4-oxo-N-quinolin-5-ylphthalazine-1-carboxamide
CID 3570049
N-(2-ethyl-6-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 5036813
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224
N-(4-bromo-3-methylphenyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 3673937
N-[2-(difluoromethoxy)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 8502691
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
N-[4-(diethylsulfamoyl)phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 17398748
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55700555
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide (CID 3958187) is N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide is CCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc2c1=O.
What is the InChIKey of N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide?
The InChIKey is ZSIVHDIIHQHAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-14-25-22(27)18-12-6-5-11-17(18)20(24-25)21(26)23-19-13-7-9-15-8-3-4-10-16(15)19/h3-13H,2,14H2,1H3,(H,23,26).
What are the key properties of N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide?
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide is sourced from PubChem (CID 3958187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).