2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one

C22H21N3O2 — CID 7666246

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1C
InChIInChI=1S/C22H21N3O2/c1-15-7-8-18(13-16(15)2)19-9-10-21(26)25(23-19)14-22(27)24-12-11-17-5-3-4-6-20(17)24/h3-10,13H,11-12,14H2,1-2H3
InChIKeyGRJXRIFASCQNRK-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.12
Rot. Bonds3

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one (PubChem CID 7666246) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
PubChem CID7666246
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1C
InChIInChI=1S/C22H21N3O2/c1-15-7-8-18(13-16(15)2)19-9-10-21(26)25(23-19)14-22(27)24-12-11-17-5-3-4-6-20(17)24/h3-10,13H,11-12,14H2,1-2H3
InChIKeyGRJXRIFASCQNRK-UHFFFAOYSA-N
XLogP3.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 47088436
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 92735678
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-thiophen-2-ylpyridazin-3-one
CID 7659550
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(trifluoromethyl)pyridazin-3-one
CID 71910003
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 9439842
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 90517683
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 46923334
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-ethylphenyl)pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926124
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one
CID 28623198
ethyl 2-[[2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]acetate
CID 7666096

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one (CID 7666246) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCc4ccccc43)n2)cc1C.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one?
The InChIKey is GRJXRIFASCQNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-7-8-18(13-16(15)2)19-9-10-21(26)25(23-19)14-22(27)24-12-11-17-5-3-4-6-20(17)24/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one has a molecular weight of 359.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 7666246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).