7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol

C14H16N2O3S — CID 122442004

IUPAC7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESCc1cc(S(=O)(=O)N2CCCC2)c2cccnc2c1O
InChIInChI=1S/C14H16N2O3S/c1-10-9-12(20(18,19)16-7-2-3-8-16)11-5-4-6-15-13(11)14(10)17/h4-6,9,17H,2-3,7-8H2,1H3
InChIKeyDTPZWHQTSZIFFP-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.03
Rot. Bonds2

About 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol

7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol (PubChem CID 122442004) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol.

Molecular Properties

Compound Name7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
PubChem CID122442004
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol
SMILESCc1cc(S(=O)(=O)N2CCCC2)c2cccnc2c1O
InChIInChI=1S/C14H16N2O3S/c1-10-9-12(20(18,19)16-7-2-3-8-16)11-5-4-6-15-13(11)14(10)17/h4-6,9,17H,2-3,7-8H2,1H3
InChIKeyDTPZWHQTSZIFFP-UHFFFAOYSA-N
XLogP2.03
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The IUPAC name of 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol (CID 122442004) is 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol.
What is the SMILES notation for 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The canonical SMILES for 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol is Cc1cc(S(=O)(=O)N2CCCC2)c2cccnc2c1O.
What is the InChIKey of 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
The InChIKey is DTPZWHQTSZIFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-9-12(20(18,19)16-7-2-3-8-16)11-5-4-6-15-13(11)14(10)17/h4-6,9,17H,2-3,7-8H2,1H3.
What are the key properties of 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol?
7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol has a molecular weight of 292.36 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-pyrrolidin-1-ylsulfonylquinolin-8-ol is sourced from PubChem (CID 122442004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).