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

C27H26N4O3 — CID 2945880

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12
InChIInChI=1S/C27H26N4O3/c1-18-7-9-19(10-8-18)26(32)28-23-17-20(11-12-24(23)31-13-15-34-16-14-31)25-21-5-3-4-6-22(21)27(33-2)30-29-25/h3-12,17H,13-16H2,1-2H3,(H,28,32)
InChIKeyCPFPYGHKOSFFSF-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.70
Rot. Bonds5

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

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide (PubChem CID 2945880) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide
PubChem CID2945880
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12
InChIInChI=1S/C27H26N4O3/c1-18-7-9-19(10-8-18)26(32)28-23-17-20(11-12-24(23)31-13-15-34-16-14-31)25-21-5-3-4-6-22(21)27(33-2)30-29-25/h3-12,17H,13-16H2,1-2H3,(H,28,32)
InChIKeyCPFPYGHKOSFFSF-UHFFFAOYSA-N
XLogP4.70
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.70
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-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(ethylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456422
N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-4-(methylaminomethyl)-3-(trifluoromethyl)benzamide
CID 90456763
US10245267, Example 574
CID 90456984
3-(difluoromethyl)-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]benzamide
CID 90464890
N-(4-{[4-(4-methylphenyl)phthalazin-1-yl]oxy}phenyl)benzamide
CID 6402455

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide (CID 2945880) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide is COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide?
The InChIKey is CPFPYGHKOSFFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-18-7-9-19(10-8-18)26(32)28-23-17-20(11-12-24(23)31-13-15-34-16-14-31)25-21-5-3-4-6-22(21)27(33-2)30-29-25/h3-12,17H,13-16H2,1-2H3,(H,28,32).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-4-methylbenzamide has a molecular weight of 454.53 g/mol, XLogP of 4.70, 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]-4-methylbenzamide is sourced from PubChem (CID 2945880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).