1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol

C13H15N3O3S — CID 63215072

IUPAC1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
SMILESCn1cc(S(=O)(=O)N2CCCc3cccc(O)c32)cn1
InChIInChI=1S/C13H15N3O3S/c1-15-9-11(8-14-15)20(18,19)16-7-3-5-10-4-2-6-12(17)13(10)16/h2,4,6,8-9,17H,3,5,7H2,1H3
InChIKeyOCUUSBJLOFLJRJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.27
Rot. Bonds2

About 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol

1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol (PubChem CID 63215072) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
PubChem CID63215072
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
SMILESCn1cc(S(=O)(=O)N2CCCc3cccc(O)c32)cn1
InChIInChI=1S/C13H15N3O3S/c1-15-9-11(8-14-15)20(18,19)16-7-3-5-10-4-2-6-12(17)13(10)16/h2,4,6,8-9,17H,3,5,7H2,1H3
InChIKeyOCUUSBJLOFLJRJ-UHFFFAOYSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butylsulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 55234624
1-(2-chlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol
CID 63214935
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
7-methyl-1-(1-phenylpyrazol-4-yl)sulfonyl-2,3-dihydroindole
CID 154796771
4-[(8-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]aniline
CID 61105845
S-tert-butylthiohydroxylamine;ethane;8-methyl-1-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 170980960
1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline
CID 154738453
(3S)-N,N-dimethyl-1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-3-amine
CID 95182891
1-[1-(2-methoxyethyl)pyrazol-4-yl]sulfonyl-6,8-dimethyl-3,4-dihydro-2H-quinoline
CID 136534415
1-(3-bromo-4-methoxyphenyl)sulfonyl-8-methoxy-3,4-dihydro-2H-quinoline
CID 38750679
5-[(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-methoxybenzoic acid
CID 56797604
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylsulfonylpropan-1-one
CID 115970115

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol (CID 63215072) is 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol is Cn1cc(S(=O)(=O)N2CCCc3cccc(O)c32)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
The InChIKey is OCUUSBJLOFLJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-15-9-11(8-14-15)20(18,19)16-7-3-5-10-4-2-6-12(17)13(10)16/h2,4,6,8-9,17H,3,5,7H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol?
1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol has a molecular weight of 293.35 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-ol is sourced from PubChem (CID 63215072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).