(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one

C20H22N2O3 — CID 11046024

IUPAC(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)[C@H](C)[C@@H]2C)cc1OC
InChIInChI=1S/C20H22N2O3/c1-13-14(2)20(23)22(16-8-6-5-7-9-16)21-19(13)15-10-11-17(24-3)18(12-15)25-4/h5-14H,1-4H3/t13-,14+/m0/s1
InChIKeyPAGIVPCQHJQBLJ-UONOGXRCSA-N
MW338.41 g/mol
LogP3.73
Rot. Bonds4

About (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one

(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 11046024) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one
PubChem CID11046024
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(C2=NN(c3ccccc3)C(=O)[C@H](C)[C@@H]2C)cc1OC
InChIInChI=1S/C20H22N2O3/c1-13-14(2)20(23)22(16-8-6-5-7-9-16)21-19(13)15-10-11-17(24-3)18(12-15)25-4/h5-14H,1-4H3/t13-,14+/m0/s1
InChIKeyPAGIVPCQHJQBLJ-UONOGXRCSA-N
XLogP3.73
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-bis(3,4-dimethoxyphenyl)-4,5-dimethyl-1-phenyl-4H-pyridazine
CID 14003929
(4aS,8aR)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenyl-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 57290076
(4S)-4-(3,4-dimethoxybenzoyl)-5-methyl-2-phenyl-4H-pyrazol-3-one
CID 98196385
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one
CID 24841836
(4aR,8aS)-2-(4-chlorophenyl)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 70004066
2-[4-(2-benzyltetrazol-5-yl)phenyl]-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 18690894
6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
3-(3,4-dimethoxyphenyl)-5-(4-methylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3780249
4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carboxylic acid
CID 1478012
(3aS,6aR)-3-(3,4-dimethoxyphenyl)-5-(3,5-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 124556368
4-[4-(3-chloro-4-methoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]benzoic acid
CID 18436683
2-(3,4-dimethoxyphenyl)-N-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)methylideneamino]acetamide
CID 3940794

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one (CID 11046024) is (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one is COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H](C)[C@@H]2C)cc1OC.
What is the InChIKey of (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is PAGIVPCQHJQBLJ-UONOGXRCSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13-14(2)20(23)22(16-8-6-5-7-9-16)21-19(13)15-10-11-17(24-3)18(12-15)25-4/h5-14H,1-4H3/t13-,14+/m0/s1.
What are the key properties of (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one?
(4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 338.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-6-(3,4-dimethoxyphenyl)-4,5-dimethyl-2-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 11046024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).