3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one

C20H19N3O3S — CID 23611829

IUPAC3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
SMILESCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H19N3O3S/c1-14-8-9-16(17-10-11-20(24)22-21-17)13-19(14)27(25,26)23-12-4-6-15-5-2-3-7-18(15)23/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,24)
InChIKeyNFYSSXDTGKITRD-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.89
Rot. Bonds3

About 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one (PubChem CID 23611829) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
PubChem CID23611829
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one
SMILESCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C20H19N3O3S/c1-14-8-9-16(17-10-11-20(24)22-21-17)13-19(14)27(25,26)23-12-4-6-15-5-2-3-7-18(15)23/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,24)
InChIKeyNFYSSXDTGKITRD-UHFFFAOYSA-N
XLogP2.89
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 46365773
2-cyclopropyl-5-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1,3-oxazole
CID 20959140
3-[5-(2,3-dihydroindol-1-ylsulfonyl)thiophen-3-yl]-1H-pyridazin-6-one
CID 53134895
3-[4-methyl-3-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-pyridazin-6-one
CID 23611824
5-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-2-methyl-1,3-oxazole
CID 20958910
(3aR,7aR)-2-[[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 99768681
1-(2,4-dimethyl-5-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 2916601
3-[4-chloro-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1H-pyridazin-6-one
CID 50763983
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-1H-pyrazol-5-amine
CID 60814697
3-(3-methyl-4-piperidin-1-ylphenyl)-1H-pyridazin-6-one
CID 58254596
3-[3-(2,3-dihydroindol-1-ylsulfonyl)-4-methylphenyl]-5-ethyl-1,2,4-oxadiazole
CID 53042681
5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 6624044

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one (CID 23611829) is 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one is Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one?
The InChIKey is NFYSSXDTGKITRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-8-9-16(17-10-11-20(24)22-21-17)13-19(14)27(25,26)23-12-4-6-15-5-2-3-7-18(15)23/h2-3,5,7-11,13H,4,6,12H2,1H3,(H,22,24).
What are the key properties of 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one?
3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one has a molecular weight of 381.46 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methylphenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 23611829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).