2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline

C14H17NO4S — CID 167959717

IUPAC2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
SMILESCOCCS(=O)(=O)Cc1cc2ccccc2nc1OC
InChIInChI=1S/C14H17NO4S/c1-18-7-8-20(16,17)10-12-9-11-5-3-4-6-13(11)15-14(12)19-2/h3-6,9H,7-8,10H2,1-2H3
InChIKeyUANOJLOUVUVCLR-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.80
Rot. Bonds6

About 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline

2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline (PubChem CID 167959717) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
PubChem CID167959717
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline
SMILESCOCCS(=O)(=O)Cc1cc2ccccc2nc1OC
InChIInChI=1S/C14H17NO4S/c1-18-7-8-20(16,17)10-12-9-11-5-3-4-6-13(11)15-14(12)19-2/h3-6,9H,7-8,10H2,1-2H3
InChIKeyUANOJLOUVUVCLR-UHFFFAOYSA-N
XLogP1.80
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethylsulfonylmethyl)aniline
CID 43446202
methyl 4-[(2-methoxyquinolin-3-yl)methyl]benzoate
CID 166457894
2-methoxyquinoline-3-carbaldehyde;(2-methoxyquinolin-3-yl)methanol
CID 158310859
2-[[1-[(2-methoxyquinolin-3-yl)methyl]-1,2,4-triazol-3-yl]sulfonyl]ethanol
CID 166400117
3-[(4-bromo-3-chlorophenyl)methyl]-2-methoxyquinoline
CID 166457860
2,3-bis(2-methoxyethoxy)quinoline
CID 140540726
3-methoxy-4-(2-methoxyethylsulfonylmethyl)aniline
CID 114112344
3-[[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-methoxyquinoline
CID 56906629
3-[(3-bromo-1,2,4-triazol-1-yl)methyl]-2-methoxyquinoline
CID 167969042
2-methoxy-3-phenylmethoxyquinoline
CID 154390747
6-methoxyhexyl-methylidene-oxo-(quinolin-3-ylmethyl)-λ6-sulfane
CID 142246181
2-chloro-3-(2-methoxyethoxymethyl)quinoline
CID 54938690

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline?
The IUPAC name of 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline (CID 167959717) is 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline.
What is the SMILES notation for 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline?
The canonical SMILES for 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline is COCCS(=O)(=O)Cc1cc2ccccc2nc1OC.
What is the InChIKey of 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline?
The InChIKey is UANOJLOUVUVCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-7-8-20(16,17)10-12-9-11-5-3-4-6-13(11)15-14(12)19-2/h3-6,9H,7-8,10H2,1-2H3.
What are the key properties of 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline?
2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline has a molecular weight of 295.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyethylsulfonylmethyl)quinoline is sourced from PubChem (CID 167959717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).