N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C22H24N4O3 — CID 2677643

IUPACN-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccccc2N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-15(2)26-22(28)17-8-4-3-7-16(17)20(24-26)21(27)23-18-9-5-6-10-19(18)25-11-13-29-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyYRTYKJWIDTZEDD-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.07
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 2677643) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID2677643
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccccc2N2CCOCC2)c2ccccc2c1=O
InChIInChI=1S/C22H24N4O3/c1-15(2)26-22(28)17-8-4-3-7-16(17)20(24-26)21(27)23-18-9-5-6-10-19(18)25-11-13-29-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,27)
InChIKeyYRTYKJWIDTZEDD-UHFFFAOYSA-N
XLogP3.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-oxo-N-(2-pyrrolidin-1-ylphenyl)phthalazine-1-carboxamide
CID 2714733
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CID 4784122
2-(4-Methyl-1-oxo-1H-phthalazin-2-yl)-N-o-tolyl-acetamide
CID 745849
3-methyl-N-(2-morpholin-4-ylethyl)-4-oxophthalazine-1-carboxamide
CID 971523
N,N-diethyl-4-[[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]amino]benzamide
CID 1306519
4-{4-[2-(3-Methyl-4-oxo-3,4-dihydro-phthalazin-1-yl)-acetylamino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester
CID 652457
4-(4-Phenylpiperazine-1-carbonyl)-2-propan-2-ylphthalazin-1-one
CID 2598398
tert-Butyl 4-(4-(2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamido)benzyl)piperazine-1-carboxylate
CID 71451956
4-(3,4-dihydroquinolin-1(2H)-ylcarbonyl)-2-methylphthalazin-1(2H)-one
CID 1511241
2-(4-methyl-1-oxophthalazin-2-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 1309824
4-[(4-phenylpiperazin-1-yl)carbonyl]phthalazin-1(2H)-one
CID 3236275
3-(difluoromethyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]benzamide
CID 90408635

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 2677643) is N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)Nc2ccccc2N2CCOCC2)c2ccccc2c1=O.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is YRTYKJWIDTZEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15(2)26-22(28)17-8-4-3-7-16(17)20(24-26)21(27)23-18-9-5-6-10-19(18)25-11-13-29-14-12-25/h3-10,15H,11-14H2,1-2H3,(H,23,27).
What are the key properties of N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 2677643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).