6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride

C18H16ClN3O2S2 — CID 22031572

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride
SMILESCc1[nH]ncc1-c1ccc2nccc(-c3ccc(S(C)(=O)=O)s3)c2c1.Cl
InChIInChI=1S/C18H15N3O2S2.ClH/c1-11-15(10-20-21-11)12-3-4-16-14(9-12)13(7-8-19-16)17-5-6-18(24-17)25(2,22)23;/h3-10H,1-2H3,(H,20,21);1H
InChIKeyUTEZSZLONJFODC-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.49
Rot. Bonds3

About 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride

6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride (PubChem CID 22031572) has the molecular formula C18H16ClN3O2S2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride
PubChem CID22031572
Molecular FormulaC18H16ClN3O2S2
Molecular Weight405.93 g/mol
Exact Mass405.04
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride
SMILESCc1[nH]ncc1-c1ccc2nccc(-c3ccc(S(C)(=O)=O)s3)c2c1.Cl
InChIInChI=1S/C18H15N3O2S2.ClH/c1-11-15(10-20-21-11)12-3-4-16-14(9-12)13(7-8-19-16)17-5-6-18(24-17)25(2,22)23;/h3-10H,1-2H3,(H,20,21);1H
InChIKeyUTEZSZLONJFODC-UHFFFAOYSA-N
XLogP4.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[5-(4-methylphenyl)-1H-pyrazol-4-yl]-4-(5-methylsulfonylthiophen-2-yl)quinazoline
CID 23537494
6-(5-methyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 154942037
1,1-diphenylethylbenzene;5-[4-[4-(5-methylsulfonylthiophen-2-yl)quinazolin-6-yl]-1H-pyrazol-5-yl]thiophene-2-carbonitrile
CID 158540616
4-[(3R)-3-methoxypyrrolidin-1-yl]-6-(5-methyl-1H-pyrazol-4-yl)quinoline;dihydrochloride
CID 68811812
4-(5-methylsulfonylthiophen-2-yl)-6-(3-methyl-1-tritylpyrazol-4-yl)quinazoline
CID 22031641
5-[6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]quinazolin-4-yl]-N-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide;tetrahydrochloride
CID 68812037
N-[2-[2-methyl-6-(5-methyl-1H-pyrazol-4-yl)-1-oxoisoquinolin-4-yl]-4-pyridinyl]ethanesulfonamide
CID 118025095
1-[4-(5-methyl-1H-pyrazol-4-yl)phenyl]ethanone
CID 39222026
6-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 59860126
5-(1-methylpyrazol-4-yl)-3-[4-(5-methylsulfonylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine
CID 137116452
5-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophene-2-sulfonamide
CID 59406218
2-amino-5-[4-(1H-pyrazol-4-yl)quinolin-6-yl]pyridine-3-sulfonamide
CID 59860158

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride (CID 22031572) is 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride is Cc1[nH]ncc1-c1ccc2nccc(-c3ccc(S(C)(=O)=O)s3)c2c1.Cl.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride?
The InChIKey is UTEZSZLONJFODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S2.ClH/c1-11-15(10-20-21-11)12-3-4-16-14(9-12)13(7-8-19-16)17-5-6-18(24-17)25(2,22)23;/h3-10H,1-2H3,(H,20,21);1H.
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride?
6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-4-(5-methylsulfonylthiophen-2-yl)quinoline;hydrochloride is sourced from PubChem (CID 22031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).