[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol

C17H16N2O3S — CID 66693225

IUPAC[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol
SMILESCc1ncccc1-c1nc2c(S(C)(=O)=O)cccc2cc1CO
InChIInChI=1S/C17H16N2O3S/c1-11-14(6-4-8-18-11)16-13(10-20)9-12-5-3-7-15(17(12)19-16)23(2,21)22/h3-9,20H,10H2,1-2H3
InChIKeyRSAZFJDNRDSUGI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.50
Rot. Bonds3

About [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol

[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol (PubChem CID 66693225) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol.

Molecular Properties

Compound Name[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol
PubChem CID66693225
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol
SMILESCc1ncccc1-c1nc2c(S(C)(=O)=O)cccc2cc1CO
InChIInChI=1S/C17H16N2O3S/c1-11-14(6-4-8-18-11)16-13(10-20)9-12-5-3-7-15(17(12)19-16)23(2,21)22/h3-9,20H,10H2,1-2H3
InChIKeyRSAZFJDNRDSUGI-UHFFFAOYSA-N
XLogP2.50
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol?
The IUPAC name of [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol (CID 66693225) is [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol.
What is the SMILES notation for [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol?
The canonical SMILES for [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol is Cc1ncccc1-c1nc2c(S(C)(=O)=O)cccc2cc1CO.
What is the InChIKey of [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol?
The InChIKey is RSAZFJDNRDSUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-11-14(6-4-8-18-11)16-13(10-20)9-12-5-3-7-15(17(12)19-16)23(2,21)22/h3-9,20H,10H2,1-2H3.
What are the key properties of [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol?
[2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol has a molecular weight of 328.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-3-pyridinyl)-8-methylsulfonylquinolin-3-yl]methanol is sourced from PubChem (CID 66693225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).