2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one

C24H20N4O4 — CID 2901797

IUPAC2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C24H20N4O4/c29-24-20-9-5-4-8-19(20)23(17-6-2-1-3-7-17)25-27(24)22-16-18(10-11-21(22)28(30)31)26-12-14-32-15-13-26/h1-11,16H,12-15H2
InChIKeyZHOHQSJNRLQGNM-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.80
Rot. Bonds4

About 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one

2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one (PubChem CID 2901797) has the molecular formula C24H20N4O4 and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one
PubChem CID2901797
Molecular FormulaC24H20N4O4
Molecular Weight428.45 g/mol
Exact Mass428.15
IUPAC Name2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one
SMILESO=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCOCC2)ccc1[N+](=O)[O-]
InChIInChI=1S/C24H20N4O4/c29-24-20-9-5-4-8-19(20)23(17-6-2-1-3-7-17)25-27(24)22-16-18(10-11-21(22)28(30)31)26-12-14-32-15-13-26/h1-11,16H,12-15H2
InChIKeyZHOHQSJNRLQGNM-UHFFFAOYSA-N
XLogP3.80
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 89246728
CID 89246728
2-[5-(azepan-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one
CID 4239392
4-(1-benzofuran-6-yl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 44512124
N,N-dimethyl-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 69162047
N'-hydroxy-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzenecarboximidamide
CID 44512179
N-hydroxy-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 87717921
1-[4-nitro-3-(1-oxo-4-phenylphthalazin-2-yl)phenyl]piperidine-4-carboxylic acid
CID 69161505
4-(1,3-benzoxazol-5-yl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69160521
4-(3-acetyl-5-prop-1-en-2-ylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69162120
3-methoxy-5-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzaldehyde
CID 87717868
4-[3-(N-methoxy-C-methylcarbonimidoyl)phenyl]-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 91355330
4-(3-ethenyl-5-pyridin-2-ylphenyl)-2-(5-morpholin-4-yl-2-nitrophenyl)phthalazin-1-one
CID 69160195

Frequently Asked Questions

What is the IUPAC name of 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one?
The IUPAC name of 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one (CID 2901797) is 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one?
The canonical SMILES for 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one is O=c1c2ccccc2c(-c2ccccc2)nn1-c1cc(N2CCOCC2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one?
The InChIKey is ZHOHQSJNRLQGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4/c29-24-20-9-5-4-8-19(20)23(17-6-2-1-3-7-17)25-27(24)22-16-18(10-11-21(22)28(30)31)26-12-14-32-15-13-26/h1-11,16H,12-15H2.
What are the key properties of 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one?
2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one has a molecular weight of 428.45 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one is sourced from PubChem (CID 2901797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).