1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline

C15H19N3O2S — CID 121385853

IUPAC1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(-c3cnn(C)c3)c(S(C)(=O)=O)cc21
InChIInChI=1S/C15H19N3O2S/c1-17-6-4-5-11-7-13(12-9-16-18(2)10-12)15(8-14(11)17)21(3,19)20/h7-10H,4-6H2,1-3H3
InChIKeyDEVRUHHOZOHJKR-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.87
Rot. Bonds2

About 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline

1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 121385853) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
PubChem CID121385853
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(-c3cnn(C)c3)c(S(C)(=O)=O)cc21
InChIInChI=1S/C15H19N3O2S/c1-17-6-4-5-11-7-13(12-9-16-18(2)10-12)15(8-14(11)17)21(3,19)20/h7-10H,4-6H2,1-3H3
InChIKeyDEVRUHHOZOHJKR-UHFFFAOYSA-N
XLogP1.87
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline (CID 121385853) is 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline is CN1CCCc2cc(-c3cnn(C)c3)c(S(C)(=O)=O)cc21.
What is the InChIKey of 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is DEVRUHHOZOHJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-17-6-4-5-11-7-13(12-9-16-18(2)10-12)15(8-14(11)17)21(3,19)20/h7-10H,4-6H2,1-3H3.
What are the key properties of 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline?
1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 305.40 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(1-methylpyrazol-4-yl)-7-methylsulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121385853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).