N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide

C16H20N4O4S — CID 71806503

IUPACN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc21
InChIInChI=1S/C16H20N4O4S/c1-19-10-14(9-17-19)25(22,23)18-13-6-5-12-4-3-7-20(15(12)8-13)16(21)11-24-2/h5-6,8-10,18H,3-4,7,11H2,1-2H3
InChIKeyYKWXMBRSGREEPT-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.15
Rot. Bonds5

About N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide

N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 71806503) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID71806503
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide
SMILESCOCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc21
InChIInChI=1S/C16H20N4O4S/c1-19-10-14(9-17-19)25(22,23)18-13-6-5-12-4-3-7-20(15(12)8-13)16(21)11-24-2/h5-6,8-10,18H,3-4,7,11H2,1-2H3
InChIKeyYKWXMBRSGREEPT-UHFFFAOYSA-N
XLogP1.15
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-(4-(2-morpholino-2-oxoethyl)phenyl)-1H-pyrazole-4-sulfonamide
CID 71806633
1-methyl-N-(1-(phenylsulfonyl)-1,2,3,4-tetrahydroquinolin-7-yl)-1H-pyrazole-4-sulfonamide
CID 71806452
methyl 7-(1-methyl-1H-pyrazole-4-sulfonamido)-3,4-dihydroisoquinoline-2(1H)-carboxylate
CID 71807103
[1-Oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-[(1-methylpyrazol-4-yl)sulfonylamino]acetate
CID 56000163
1-[11-[1-(Difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2-methoxyethanone
CID 156005002
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazole-4-sulfonamide
CID 16673999
N-[1-(2-methoxyacetyl)-1,2,3,4-tetrahydroquinolin-7-yl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 45504666
N-[1-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-8-yl]acetamide
CID 53607007
N-benzyl-N-[2-(2-methoxyacetyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1-methylpyrazole-3-sulfonamide
CID 49834003
1-((2S,4R)-4-amino-6-(1-(2-methoxyethyl)-1H-pyrazol-4-yl)-2-methyl-3,4-dihydroquinolin-1(2H)-yl)ethanone
CID 70977554
[1-(3-chloro-1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]carbamic acid
CID 122614763
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-pyrazol-1-ylbenzenesulfonamide
CID 154934468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide (CID 71806503) is N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide is COCC(=O)N1CCCc2ccc(NS(=O)(=O)c3cnn(C)c3)cc21.
What is the InChIKey of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is YKWXMBRSGREEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-19-10-14(9-17-19)25(22,23)18-13-6-5-12-4-3-7-20(15(12)8-13)16(21)11-24-2/h5-6,8-10,18H,3-4,7,11H2,1-2H3.
What are the key properties of N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide?
N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 364.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).