6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one

C22H21N3O3 — CID 35266981

IUPAC6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)nn1-c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-16-14-19(26)21(23-25(16)18-10-6-3-7-11-18)22(27)24-12-13-28-20(15-24)17-8-4-2-5-9-17/h2-11,14,20H,12-13,15H2,1H3/t20-/m1/s1
InChIKeyYWRVJHLUOAYSCC-HXUWFJFHSA-N
MW375.43 g/mol
LogP2.75
Rot. Bonds3

About 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one

6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one (PubChem CID 35266981) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one.

Molecular Properties

Compound Name6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
PubChem CID35266981
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)nn1-c1ccccc1
InChIInChI=1S/C22H21N3O3/c1-16-14-19(26)21(23-25(16)18-10-6-3-7-11-18)22(27)24-12-13-28-20(15-24)17-8-4-2-5-9-17/h2-11,14,20H,12-13,15H2,1H3/t20-/m1/s1
InChIKeyYWRVJHLUOAYSCC-HXUWFJFHSA-N
XLogP2.75
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 97067476
4-[2-(4-chlorophenyl)morpholine-4-carbonyl]-2-phenylphthalazin-1-one
CID 55948397
[4-(5-methylpyrazol-1-yl)phenyl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415549
3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8548127
6-methyl-3-[4-(3-methylphenyl)piperazine-1-carbonyl]-1-phenylpyridazin-4-one
CID 27049012
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120
(3-phenylimidazol-4-yl)-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 31415200
(3-bromo-2-pyridinyl)-(2-phenylmorpholin-4-yl)methanone
CID 107518605
(2-phenylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110629813
N-[4-hydroxy-3-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl]acetamide
CID 97028515
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 35611514

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one?
The IUPAC name of 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one (CID 35266981) is 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one.
What is the SMILES notation for 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one?
The canonical SMILES for 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one is Cc1cc(=O)c(C(=O)N2CCO[C@@H](c3ccccc3)C2)nn1-c1ccccc1.
What is the InChIKey of 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one?
The InChIKey is YWRVJHLUOAYSCC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-16-14-19(26)21(23-25(16)18-10-6-3-7-11-18)22(27)24-12-13-28-20(15-24)17-8-4-2-5-9-17/h2-11,14,20H,12-13,15H2,1H3/t20-/m1/s1.
What are the key properties of 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one?
6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one has a molecular weight of 375.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-3-[(2S)-2-phenylmorpholine-4-carbonyl]pyridazin-4-one is sourced from PubChem (CID 35266981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).