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

C21H22N4O3 — CID 662471

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(C)=O)c2)c2ccccc12
InChIInChI=1S/C21H22N4O3/c1-14(26)22-18-13-15(7-8-19(18)25-9-11-28-12-10-25)20-16-5-3-4-6-17(16)21(27-2)24-23-20/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyQUHDOYBCZDEKHA-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds4

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

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide (PubChem CID 662471) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide
PubChem CID662471
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(C)=O)c2)c2ccccc12
InChIInChI=1S/C21H22N4O3/c1-14(26)22-18-13-15(7-8-19(18)25-9-11-28-12-10-25)20-16-5-3-4-6-17(16)21(27-2)24-23-20/h3-8,13H,9-12H2,1-2H3,(H,22,26)
InChIKeyQUHDOYBCZDEKHA-UHFFFAOYSA-N
XLogP3.10
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxyphthalazin-1-yl)-2-piperidin-1-ylaniline
CID 2953423
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]cyclohexanecarboxamide
CID 2945285
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-2-furamide
CID 2945487
N-[5-(4-Methoxy-phthalazin-1-yl)-2-morpholin-4-yl-phenyl]-benzamide
CID 3154339
4-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407021
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]cyclohexanecarboxamide
CID 6407393
N-[5-(4-methoxy-1-phthalazinyl)-2-(4-morpholinyl)phenyl]-4-methylbenzamide
CID 2945880
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]propanamide
CID 662299
2-chloro-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]benzamide
CID 2953044
N-[5-(4-Methoxy-phthalazin-1-yl)-2-piperidin-1-yl-phenyl]-acetamide
CID 3155247
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]benzamide
CID 6407400
N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]butanamide
CID 2953328

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide (CID 662471) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide is COc1nnc(-c2ccc(N3CCOCC3)c(NC(C)=O)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide?
The InChIKey is QUHDOYBCZDEKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(26)22-18-13-15(7-8-19(18)25-9-11-28-12-10-25)20-16-5-3-4-6-17(16)21(27-2)24-23-20/h3-8,13H,9-12H2,1-2H3,(H,22,26).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 3.10, 4 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]acetamide is sourced from PubChem (CID 662471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).