1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone

C23H23N3O3S — CID 8699580

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccc(OC)c(-c2ccc(SCC(=O)N3CCCc4ccccc43)nn2)c1
InChIInChI=1S/C23H23N3O3S/c1-28-17-9-11-21(29-2)18(14-17)19-10-12-22(25-24-19)30-15-23(27)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3
InChIKeyMPUGFTNEOQNZAU-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.23
Rot. Bonds6

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone (PubChem CID 8699580) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
PubChem CID8699580
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
SMILESCOc1ccc(OC)c(-c2ccc(SCC(=O)N3CCCc4ccccc43)nn2)c1
InChIInChI=1S/C23H23N3O3S/c1-28-17-9-11-21(29-2)18(14-17)19-10-12-22(25-24-19)30-15-23(27)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3
InChIKeyMPUGFTNEOQNZAU-UHFFFAOYSA-N
XLogP4.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7502636
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 8542155
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
CID 59467896
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]-3-methoxybenzamide
CID 44912743
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 9355348
N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-(2,5-dimethoxyphenyl)-1,2,4-triazol-3-yl]methyl]thiophene-2-carboxamide
CID 44912700
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
N-[(1R)-1-[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzamide
CID 41007948
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7611783
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-1-phenylethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 53125923

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone (CID 8699580) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone is COc1ccc(OC)c(-c2ccc(SCC(=O)N3CCCc4ccccc43)nn2)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone?
The InChIKey is MPUGFTNEOQNZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c1-28-17-9-11-21(29-2)18(14-17)19-10-12-22(25-24-19)30-15-23(27)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14H,5,7,13,15H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone has a molecular weight of 421.52 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone is sourced from PubChem (CID 8699580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).