4-ethoxy-3-methylsulfonylquinoline

C12H13NO3S — CID 141129926

IUPAC4-ethoxy-3-methylsulfonylquinoline
SMILESCCOc1c(S(C)(=O)=O)cnc2ccccc12
InChIInChI=1S/C12H13NO3S/c1-3-16-12-9-6-4-5-7-10(9)13-8-11(12)17(2,14)15/h4-8H,3H2,1-2H3
InChIKeyNJTMJWBYEWDLPT-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.04
Rot. Bonds3

About 4-ethoxy-3-methylsulfonylquinoline

4-ethoxy-3-methylsulfonylquinoline (PubChem CID 141129926) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-ethoxy-3-methylsulfonylquinoline.

Molecular Properties

Compound Name4-ethoxy-3-methylsulfonylquinoline
PubChem CID141129926
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name4-ethoxy-3-methylsulfonylquinoline
SMILESCCOc1c(S(C)(=O)=O)cnc2ccccc12
InChIInChI=1S/C12H13NO3S/c1-3-16-12-9-6-4-5-7-10(9)13-8-11(12)17(2,14)15/h4-8H,3H2,1-2H3
InChIKeyNJTMJWBYEWDLPT-UHFFFAOYSA-N
XLogP2.04
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylsulfonylquinolin-4-yl)sulfanyl-4-phenoxyquinoline
CID 102152542
4-chloro-N-ethylquinoline-3-sulfonamide
CID 15643030
ethyl quinoline-4-sulfonate
CID 152547858
3-ethoxy-1,2-dimethyl-4-methylsulfonylbenzene
CID 20690288
1-chloro-4-methylsulfonylisoquinoline
CID 58724163
N'-(4-ethoxy-3-methylquinolin-2-yl)ethane-1,2-diamine
CID 6425207
4-chloro-N-methylquinoline-3-sulfonamide
CID 15643029
N'-(4-ethoxyquinolin-3-yl)-N-(4-methylphenyl)propane-1,3-diamine
CID 6425210
4-pentyl-3-pentylsulfonylquinoline
CID 68571219
N-methyl-4-(methylamino)quinoline-3-sulfonamide
CID 10966954
4-ethoxyquinazoline
CID 589708
(3-methylsulfonyl-4-phenylquinolin-6-yl)methanol
CID 58585810

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methylsulfonylquinoline?
The IUPAC name of 4-ethoxy-3-methylsulfonylquinoline (CID 141129926) is 4-ethoxy-3-methylsulfonylquinoline.
What is the SMILES notation for 4-ethoxy-3-methylsulfonylquinoline?
The canonical SMILES for 4-ethoxy-3-methylsulfonylquinoline is CCOc1c(S(C)(=O)=O)cnc2ccccc12.
What is the InChIKey of 4-ethoxy-3-methylsulfonylquinoline?
The InChIKey is NJTMJWBYEWDLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-3-16-12-9-6-4-5-7-10(9)13-8-11(12)17(2,14)15/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethoxy-3-methylsulfonylquinoline?
4-ethoxy-3-methylsulfonylquinoline has a molecular weight of 251.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methylsulfonylquinoline is sourced from PubChem (CID 141129926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).