2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid

C20H20N2O3 — CID 166249485

IUPAC2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid
SMILESCc1ccc(C2=NN(c3ccc(CC(=O)O)cc3)C(=O)CC2)cc1C
InChIInChI=1S/C20H20N2O3/c1-13-3-6-16(11-14(13)2)18-9-10-19(23)22(21-18)17-7-4-15(5-8-17)12-20(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,24,25)
InChIKeyFAWXCRBDSWHVDD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.46
Rot. Bonds4

About 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid

2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid (PubChem CID 166249485) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid
PubChem CID166249485
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid
SMILESCc1ccc(C2=NN(c3ccc(CC(=O)O)cc3)C(=O)CC2)cc1C
InChIInChI=1S/C20H20N2O3/c1-13-3-6-16(11-14(13)2)18-9-10-19(23)22(21-18)17-7-4-15(5-8-17)12-20(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,24,25)
InChIKeyFAWXCRBDSWHVDD-UHFFFAOYSA-N
XLogP3.46
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,4-dimethylphenyl)-2-phenyl-4H-pyrazol-3-one
CID 11807549
N-(3,4-dimethylphenyl)-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 942686
2-[4-(3,4-dimethylphenyl)cyclohexa-1,3-dien-1-yl]acetic acid
CID 163529094
2-[2-(3,4-dimethylphenyl)-1-methylbenzimidazol-5-yl]acetic acid
CID 82142040
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3992311
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
2-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 43358512
3-[3-(4-chlorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]benzoic acid
CID 45408122
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[4-(2,6-dimethyl-4-oxo-1-pyridinyl)phenyl]acetic acid
CID 79023796
1-butyl-3-[4-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)phenyl]sulfonylurea
CID 46243104
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid (CID 166249485) is 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid is Cc1ccc(C2=NN(c3ccc(CC(=O)O)cc3)C(=O)CC2)cc1C.
What is the InChIKey of 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid?
The InChIKey is FAWXCRBDSWHVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-3-6-16(11-14(13)2)18-9-10-19(23)22(21-18)17-7-4-15(5-8-17)12-20(24)25/h3-8,11H,9-10,12H2,1-2H3,(H,24,25).
What are the key properties of 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid?
2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(3,4-dimethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 166249485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).