4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one

C24H23N3O — CID 57187982

IUPAC4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one
SMILESCC(CCNc1n[nH]c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)15-16-25-23-21-9-5-6-10-22(21)24(28)27-26-23/h2-14,17H,15-16H2,1H3,(H,25,26)(H,27,28)
InChIKeyATSUSDDDMPILIO-UHFFFAOYSA-N
MW369.47 g/mol
LogP5.20
Rot. Bonds6

About 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one

4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one (PubChem CID 57187982) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one
PubChem CID57187982
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one
SMILESCC(CCNc1n[nH]c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H23N3O/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)15-16-25-23-21-9-5-6-10-22(21)24(28)27-26-23/h2-14,17H,15-16H2,1H3,(H,25,26)(H,27,28)
InChIKeyATSUSDDDMPILIO-UHFFFAOYSA-N
XLogP5.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-aminopropylamino)-2H-phthalazin-1-one;ethane
CID 142215324
4-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2H-phthalazin-1-one
CID 20819149
2-[(4-oxo-3H-phthalazin-1-yl)amino]acetic acid
CID 119085133
4-[3-(benzylamino)propylamino]-2H-phthalazin-1-one
CID 22343074
2-[4-(3-methoxyphenyl)phenyl]-N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]acetamide
CID 20818829
N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]-2-phenylsulfanylacetamide
CID 20819446
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861
4-[4-[3-oxo-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propyl]phenyl]benzoic acid
CID 20819178
phenyl N-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]carbamate
CID 20819597
4-[[(4-phenylphthalazin-1-yl)amino]methyl]-2H-phthalazin-1-one
CID 23820068
1-oxo-4-[4-[(1R)-1-(sulfinatoamino)ethyl]phenyl]-2H-phthalazine;hydrochloride
CID 166523645

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one?
The IUPAC name of 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one (CID 57187982) is 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one?
The canonical SMILES for 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one is CC(CCNc1n[nH]c(=O)c2ccccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one?
The InChIKey is ATSUSDDDMPILIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-17(18-11-13-20(14-12-18)19-7-3-2-4-8-19)15-16-25-23-21-9-5-6-10-22(21)24(28)27-26-23/h2-14,17H,15-16H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one?
4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one has a molecular weight of 369.47 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenylphenyl)butylamino]-2H-phthalazin-1-one is sourced from PubChem (CID 57187982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).