N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide

C26H24N4O3 — CID 3154339

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C26H24N4O3/c1-32-26-21-10-6-5-9-20(21)24(28-29-26)19-11-12-23(30-13-15-33-16-14-30)22(17-19)27-25(31)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,31)
InChIKeyOOGQVWKHYDWTLU-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.39
Rot. Bonds5

About N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide (PubChem CID 3154339) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide
PubChem CID3154339
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12
InChIInChI=1S/C26H24N4O3/c1-32-26-21-10-6-5-9-20(21)24(28-29-26)19-11-12-23(30-13-15-33-16-14-30)22(17-19)27-25(31)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,31)
InChIKeyOOGQVWKHYDWTLU-UHFFFAOYSA-N
XLogP4.39
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide (CID 3154339) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide is COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide?
The InChIKey is OOGQVWKHYDWTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-32-26-21-10-6-5-9-20(21)24(28-29-26)19-11-12-23(30-13-15-33-16-14-30)22(17-19)27-25(31)18-7-3-2-4-8-18/h2-12,17H,13-16H2,1H3,(H,27,31).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide has a molecular weight of 440.50 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]benzamide is sourced from PubChem (CID 3154339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).