4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one

C25H20ClN3O3 — CID 55948397

IUPAC4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H20ClN3O3/c26-18-12-10-17(11-13-18)22-16-28(14-15-32-22)25(31)23-20-8-4-5-9-21(20)24(30)29(27-23)19-6-2-1-3-7-19/h1-13,22H,14-16H2
InChIKeyWJSCMPQJAMBJIC-UHFFFAOYSA-N
MW445.91 g/mol
LogP4.25
Rot. Bonds3

About 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one

4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one (PubChem CID 55948397) has the molecular formula C25H20ClN3O3 and a molecular weight of 445.91 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
PubChem CID55948397
Molecular FormulaC25H20ClN3O3
Molecular Weight445.91 g/mol
Exact Mass445.12
IUPAC Name4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
SMILESO=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C25H20ClN3O3/c26-18-12-10-17(11-13-18)22-16-28(14-15-32-22)25(31)23-20-8-4-5-9-21(20)24(30)29(27-23)19-6-2-1-3-7-19/h1-13,22H,14-16H2
InChIKeyWJSCMPQJAMBJIC-UHFFFAOYSA-N
XLogP4.25
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
CID 35266981
4-(azetidine-1-carbonyl)-2-phenylphthalazin-1-one
CID 24503340
3-(4-chlorophenyl)-4-oxophthalazine-1-carboxylic acid
CID 2805924
[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 94936140
2-methyl-4-[2-(1-methyltetrazol-5-yl)morpholine-4-carbonyl]phthalazin-1-one
CID 165420118
[2-(4-chlorophenyl)morpholin-4-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 56746635
[2-(4-chlorophenyl)morpholin-4-yl]-(5-methyl-1H-imidazol-4-yl)methanone
CID 56758835
2-(1,2-benzoxazol-3-yl)-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 55982910
(2,4-dichlorophenyl)-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 25281298
2-anilino-1-[2-(4-chlorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119725525
4-[(2R)-2-phenylmorpholine-4-carbonyl]-2-propan-2-ylisoquinolin-1-one
CID 95859088
[2-(4-chlorophenyl)morpholin-4-yl]-(3-phenylthiophen-2-yl)methanone
CID 55947755

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one?
The IUPAC name of 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one (CID 55948397) is 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one is O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one?
The InChIKey is WJSCMPQJAMBJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN3O3/c26-18-12-10-17(11-13-18)22-16-28(14-15-32-22)25(31)23-20-8-4-5-9-21(20)24(30)29(27-23)19-6-2-1-3-7-19/h1-13,22H,14-16H2.
What are the key properties of 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one?
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one has a molecular weight of 445.91 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one is sourced from PubChem (CID 55948397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).