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

C23H20N4O2 — CID 1388925

IUPAC4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-27(2)23(29)16-7-11-17(12-8-16)24-22-20-6-4-3-5-19(20)21(25-26-22)15-9-13-18(28)14-10-15/h3-14,28H,1-2H3,(H,24,26)
InChIKeyVSCUPIFQOMIRKF-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.45
Rot. Bonds4

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

4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide (PubChem CID 1388925) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide
PubChem CID1388925
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1
InChIInChI=1S/C23H20N4O2/c1-27(2)23(29)16-7-11-17(12-8-16)24-22-20-6-4-3-5-19(20)21(25-26-22)15-9-13-18(28)14-10-15/h3-14,28H,1-2H3,(H,24,26)
InChIKeyVSCUPIFQOMIRKF-UHFFFAOYSA-N
XLogP4.45
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide (CID 1388925) is 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(Nc2nnc(-c3ccc(O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is VSCUPIFQOMIRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-27(2)23(29)16-7-11-17(12-8-16)24-22-20-6-4-3-5-19(20)21(25-26-22)15-9-13-18(28)14-10-15/h3-14,28H,1-2H3,(H,24,26).
What are the key properties of 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide?
4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 384.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-hydroxyphenyl)phthalazin-1-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 1388925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).