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

C26H30N4O3 — CID 2945285

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc12
InChIInChI=1S/C26H30N4O3/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/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3,(H,27,31)
InChIKeyPPKLFISYXDXUFZ-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.66
Rot. Bonds5

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

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide (PubChem CID 2945285) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide
PubChem CID2945285
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)C3CCCCC3)c2)c2ccccc12
InChIInChI=1S/C26H30N4O3/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/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3,(H,27,31)
InChIKeyPPKLFISYXDXUFZ-UHFFFAOYSA-N
XLogP4.66
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.66
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-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
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]butanamide
CID 2953328
N-[5-(4-methoxyphthalazin-1-yl)-2-(piperidin-1-yl)phenyl]-4-methylbenzamide
CID 6407054

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide (CID 2945285) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide 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]cyclohexanecarboxamide?
The InChIKey is PPKLFISYXDXUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/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/h5-6,9-12,17-18H,2-4,7-8,13-16H2,1H3,(H,27,31).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]cyclohexanecarboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.66, 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]cyclohexanecarboxamide is sourced from PubChem (CID 2945285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).