6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one

C22H20BrN3O3 — CID 52898852

IUPAC6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C22H20BrN3O3/c23-18-8-6-16(7-9-18)19-10-11-21(27)26(24-19)15-22(28)25-12-13-29-20(14-25)17-4-2-1-3-5-17/h1-11,20H,12-15H2/t20-/m0/s1
InChIKeyXJFHPXJPKKACRZ-FQEVSTJZSA-N
MW454.32 g/mol
LogP3.27
Rot. Bonds4

About 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one

6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one (PubChem CID 52898852) has the molecular formula C22H20BrN3O3 and a molecular weight of 454.32 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one
PubChem CID52898852
Molecular FormulaC22H20BrN3O3
Molecular Weight454.32 g/mol
Exact Mass453.07
IUPAC Name6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C22H20BrN3O3/c23-18-8-6-16(7-9-18)19-10-11-21(27)26(24-19)15-22(28)25-12-13-29-20(14-25)17-4-2-1-3-5-17/h1-11,20H,12-15H2/t20-/m0/s1
InChIKeyXJFHPXJPKKACRZ-FQEVSTJZSA-N
XLogP3.27
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7663524
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3-one
CID 121051087
2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 52898382
2-(2-oxo-2-pyrrolidin-1-ylethyl)-6-phenylpyridazin-3-one
CID 7659647
(1S,6R,7R)-3-[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]-3-azabicyclo[4.1.0]heptane-7-carboxylic acid
CID 166254766
4-bromo-N-[2-oxo-2-(2-phenylmorpholin-4-yl)ethyl]benzenesulfonamide
CID 16895090
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3-one
CID 7659649
10-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acridin-9-one
CID 25348640
2-[2-[5-(4-bromophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-6-phenylpyridazin-3-one
CID 121049999
2-[3-[2-(4-bromophenyl)morpholin-4-yl]-3-oxopropyl]-3H-quinazolin-4-one
CID 135994857
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
6-(3-bromophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7659757

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one (CID 52898852) is 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one is O=C(Cn1nc(-c2ccc(Br)cc2)ccc1=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one?
The InChIKey is XJFHPXJPKKACRZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H20BrN3O3/c23-18-8-6-16(7-9-18)19-10-11-21(27)26(24-19)15-22(28)25-12-13-29-20(14-25)17-4-2-1-3-5-17/h1-11,20H,12-15H2/t20-/m0/s1.
What are the key properties of 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one?
6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one has a molecular weight of 454.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-[2-oxo-2-[(2R)-2-phenylmorpholin-4-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 52898852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).