4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide

C24H22N4O — CID 2896280

IUPAC4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O/c1-28(2)24(29)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(27-26-22)25-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyHBNHQYPUZKZKNT-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.61
Rot. Bonds5

About 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide

4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide (PubChem CID 2896280) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide
PubChem CID2896280
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C24H22N4O/c1-28(2)24(29)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(27-26-22)25-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27)
InChIKeyHBNHQYPUZKZKNT-UHFFFAOYSA-N
XLogP4.61
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide (CID 2896280) is 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide?
The InChIKey is HBNHQYPUZKZKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c1-28(2)24(29)19-14-12-18(13-15-19)22-20-10-6-7-11-21(20)23(27-26-22)25-16-17-8-4-3-5-9-17/h3-15H,16H2,1-2H3,(H,25,27).
What are the key properties of 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide?
4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide has a molecular weight of 382.47 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylamino)phthalazin-1-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 2896280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).