N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C23H26N4O3 — CID 78802659

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-16(2)27-23(29)20-6-4-3-5-19(20)21(25-27)22(28)24-18-9-7-17(8-10-18)15-26-11-13-30-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyOGEJGGLEJIZMBO-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.06
Rot. Bonds5

About N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 78802659) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID78802659
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccccc2c1=O
InChIInChI=1S/C23H26N4O3/c1-16(2)27-23(29)20-6-4-3-5-19(20)21(25-27)22(28)24-18-9-7-17(8-10-18)15-26-11-13-30-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,28)
InChIKeyOGEJGGLEJIZMBO-UHFFFAOYSA-N
XLogP3.06
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55343028
N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46421233
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
1-morpholin-4-yl-2-[4-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 55447504
N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51187330
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 4856797
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
2-methyl-3-(methylamino)-N-[4-(morpholin-4-ylmethyl)phenyl]propanamide
CID 79203852

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 78802659) is N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c2ccccc2c1=O.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is OGEJGGLEJIZMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16(2)27-23(29)20-6-4-3-5-19(20)21(25-27)22(28)24-18-9-7-17(8-10-18)15-26-11-13-30-14-12-26/h3-10,16H,11-15H2,1-2H3,(H,24,28).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 78802659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).