4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one

C19H21N5OS — CID 46994178

IUPAC4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCSc1ccc2c(C)cc(N3CCN(c4cn[nH]c(=O)c4)CC3)nc2c1
InChIInChI=1S/C19H21N5OS/c1-13-9-18(21-17-11-15(26-2)3-4-16(13)17)24-7-5-23(6-8-24)14-10-19(25)22-20-12-14/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)
InChIKeyIVACIDAJXYWSTR-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.68
Rot. Bonds3

About 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one

4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 46994178) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID46994178
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESCSc1ccc2c(C)cc(N3CCN(c4cn[nH]c(=O)c4)CC3)nc2c1
InChIInChI=1S/C19H21N5OS/c1-13-9-18(21-17-11-15(26-2)3-4-16(13)17)24-7-5-23(6-8-24)14-10-19(25)22-20-12-14/h3-4,9-12H,5-8H2,1-2H3,(H,22,25)
InChIKeyIVACIDAJXYWSTR-UHFFFAOYSA-N
XLogP2.68
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,5R,6R)-3-(4-methyl-7-methylsulfanylquinolin-2-yl)-3-azabicyclo[3.2.0]heptan-6-ol
CID 138385961
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
4-[4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50962400
4-(7-fluoro-4-methylquinolin-2-yl)thiomorpholine
CID 31196475
(3R,4R)-4-(hydroxymethyl)-1-(4-methyl-7-methylsulfanylquinolin-2-yl)-4-propylpiperidin-3-ol
CID 155911377
4-methyl-2-piperazin-1-ylquinolin-7-ol
CID 136918047
(3R,4R)-1-(4-methyl-7-methylsulfanylquinolin-2-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134696317
2-[2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913484
(3aR,5R,6R,7aS)-2-(4-methyl-7-methylsulfanylquinolin-2-yl)-6-(pyrazin-2-ylamino)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 175645833
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
CID 69237633
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
4-methyl-2-piperazin-1-ylquinoline
CID 598754

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 46994178) is 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one is CSc1ccc2c(C)cc(N3CCN(c4cn[nH]c(=O)c4)CC3)nc2c1.
What is the InChIKey of 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is IVACIDAJXYWSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-13-9-18(21-17-11-15(26-2)3-4-16(13)17)24-7-5-23(6-8-24)14-10-19(25)22-20-12-14/h3-4,9-12H,5-8H2,1-2H3,(H,22,25).
What are the key properties of 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one?
4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 367.48 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-7-methylsulfanylquinolin-2-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 46994178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).