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

C23H26N4O3 — CID 2946611

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H26N4O3/c1-3-6-21(28)24-19-15-16(9-10-20(19)27-11-13-30-14-12-27)22-17-7-4-5-8-18(17)23(29-2)26-25-22/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,28)
InChIKeyFOSGYBHCSIOYBR-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.88
Rot. Bonds6

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

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide (PubChem CID 2946611) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
PubChem CID2946611
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide
SMILESCCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1
InChIInChI=1S/C23H26N4O3/c1-3-6-21(28)24-19-15-16(9-10-20(19)27-11-13-30-14-12-27)22-17-7-4-5-8-18(17)23(29-2)26-25-22/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,28)
InChIKeyFOSGYBHCSIOYBR-UHFFFAOYSA-N
XLogP3.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methoxy-1-phthalazinyl)-2-(1-piperidinyl)aniline
CID 2953423
N-[5-(4-methoxyphthalazin-1-yl)-2-(morpholin-4-yl)phenyl]acetamide
CID 662471
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-yl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide (CID 2946611) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide is CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
The InChIKey is FOSGYBHCSIOYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-3-6-21(28)24-19-15-16(9-10-20(19)27-11-13-30-14-12-27)22-17-7-4-5-8-18(17)23(29-2)26-25-22/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,28).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]butanamide has a molecular weight of 406.49 g/mol, XLogP of 3.88, 6 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]butanamide is sourced from PubChem (CID 2946611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).