(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate

C19H16N2O3 — CID 835928

IUPAC(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C19H16N2O3/c1-13-8-9-15(12-14(13)2)19(23)24-17-10-11-18(22)21(20-17)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyRZVDDZTWRPLGQK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.07
Rot. Bonds3

About (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate

(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate (PubChem CID 835928) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate.

Molecular Properties

Compound Name(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate
PubChem CID835928
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1C
InChIInChI=1S/C19H16N2O3/c1-13-8-9-15(12-14(13)2)19(23)24-17-10-11-18(22)21(20-17)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKeyRZVDDZTWRPLGQK-UHFFFAOYSA-N
XLogP3.07
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-oxo-1-phenylpyridazin-3-yl) 3-chlorobenzoate
CID 1472472
6-methoxy-2-phenylpyridazin-3-one
CID 6456935
methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
CID 806216
(1,3-diphenylpyrazol-5-yl) 4-methylbenzoate
CID 42726766
2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-(3-phenylpropyl)propanamide
CID 46381619
ethyl 4-[[(2S)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92881002
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,4-dimethylbenzamide
CID 16575158
N-(4-acetamidophenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxyacetamide
CID 46381586
methyl 3-[(1,3-diphenylpyrazole-5-carbonyl)amino]-4-methylbenzoate
CID 7920471
chloro 3,4-dimethylbenzoate
CID 174727966
[1-phenyl-5-(3,4,5-trimethoxyphenyl)pyrazol-3-yl] benzoate
CID 141317691
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713

Frequently Asked Questions

What is the IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate?
The IUPAC name of (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate (CID 835928) is (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate.
What is the SMILES notation for (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate?
The canonical SMILES for (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate is Cc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1C.
What is the InChIKey of (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate?
The InChIKey is RZVDDZTWRPLGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-13-8-9-15(12-14(13)2)19(23)24-17-10-11-18(22)21(20-17)16-6-4-3-5-7-16/h3-12H,1-2H3.
What are the key properties of (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate?
(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate has a molecular weight of 320.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate is sourced from PubChem (CID 835928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).