1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline

C16H21N3O2S — CID 154738453

IUPAC1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)c1cccc2c1N(S(=O)(=O)c1ccnn1C)CCC2
InChIInChI=1S/C16H21N3O2S/c1-12(2)14-8-4-6-13-7-5-11-19(16(13)14)22(20,21)15-9-10-17-18(15)3/h4,6,8-10,12H,5,7,11H2,1-3H3
InChIKeyGCERDQYOZVEJMY-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline

1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline (PubChem CID 154738453) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline
PubChem CID154738453
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline
SMILESCC(C)c1cccc2c1N(S(=O)(=O)c1ccnn1C)CCC2
InChIInChI=1S/C16H21N3O2S/c1-12(2)14-8-4-6-13-7-5-11-19(16(13)14)22(20,21)15-9-10-17-18(15)3/h4,6,8-10,12H,5,7,11H2,1-3H3
InChIKeyGCERDQYOZVEJMY-UHFFFAOYSA-N
XLogP2.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline (CID 154738453) is 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline is CC(C)c1cccc2c1N(S(=O)(=O)c1ccnn1C)CCC2.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline?
The InChIKey is GCERDQYOZVEJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-12(2)14-8-4-6-13-7-5-11-19(16(13)14)22(20,21)15-9-10-17-18(15)3/h4,6,8-10,12H,5,7,11H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline?
1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline has a molecular weight of 319.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)sulfonyl-8-propan-2-yl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 154738453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).