2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one

C25H23N5O3S — CID 50800901

IUPAC2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3nnc(SCC(=O)N4CCCc5ccccc54)o3)n2)cc1
InChIInChI=1S/C25H23N5O3S/c1-17-8-10-18(11-9-17)20-12-13-23(31)30(28-20)15-22-26-27-25(33-22)34-16-24(32)29-14-4-6-19-5-2-3-7-21(19)29/h2-3,5,7-13H,4,6,14-16H2,1H3
InChIKeyMANFZYLTQJBSEW-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.72
Rot. Bonds6

About 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one

2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 50800901) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID50800901
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(Cc3nnc(SCC(=O)N4CCCc5ccccc54)o3)n2)cc1
InChIInChI=1S/C25H23N5O3S/c1-17-8-10-18(11-9-17)20-12-13-23(31)30(28-20)15-22-26-27-25(33-22)34-16-24(32)29-14-4-6-19-5-2-3-7-21(19)29/h2-3,5,7-13H,4,6,14-16H2,1H3
InChIKeyMANFZYLTQJBSEW-UHFFFAOYSA-N
XLogP3.72
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one with MolForge

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Related Compounds

2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 3633935
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 8542155
2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 16885514
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 1073188
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
2-(4-chlorophenoxy)-N-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 3236262
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 7502636
6-(4-bromophenyl)-2-[4-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]pyridazin-3-one
CID 16884851
1-(3,4-dihydro-2H-quinolin-1-yl)-2-phenylsulfanylethanone
CID 3476595
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 7666246
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 2366812
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110333640

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one (CID 50800901) is 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(Cc3nnc(SCC(=O)N4CCCc5ccccc54)o3)n2)cc1.
What is the InChIKey of 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is MANFZYLTQJBSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-17-8-10-18(11-9-17)20-12-13-23(31)30(28-20)15-22-26-27-25(33-22)34-16-24(32)29-14-4-6-19-5-2-3-7-21(19)29/h2-3,5,7-13H,4,6,14-16H2,1H3.
What are the key properties of 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 473.56 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 50800901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).