4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide

C22H18N4O2 — CID 1391316

IUPAC4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
SMILESCOc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-28-17-12-10-16(11-13-17)24-22-19-5-3-2-4-18(19)20(25-26-22)14-6-8-15(9-7-14)21(23)27/h2-13H,1H3,(H2,23,27)(H,24,26)
InChIKeyYNGLJWLACMDBOD-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.15
Rot. Bonds5

About 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide

4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide (PubChem CID 1391316) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
PubChem CID1391316
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide
SMILESCOc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1
InChIInChI=1S/C22H18N4O2/c1-28-17-12-10-16(11-13-17)24-22-19-5-3-2-4-18(19)20(25-26-22)14-6-8-15(9-7-14)21(23)27/h2-13H,1H3,(H2,23,27)(H,24,26)
InChIKeyYNGLJWLACMDBOD-UHFFFAOYSA-N
XLogP4.15
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
The IUPAC name of 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide (CID 1391316) is 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
The canonical SMILES for 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide is COc1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
The InChIKey is YNGLJWLACMDBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-17-12-10-16(11-13-17)24-22-19-5-3-2-4-18(19)20(25-26-22)14-6-8-15(9-7-14)21(23)27/h2-13H,1H3,(H2,23,27)(H,24,26).
What are the key properties of 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide?
4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide has a molecular weight of 370.41 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyanilino)phthalazin-1-yl]benzamide is sourced from PubChem (CID 1391316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).