3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline

C21H17NO4S — CID 162110360

IUPAC3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline
SMILESCOc1ccc(-c2ccoc2)cc1S(=O)(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C21H17NO4S/c1-25-20-7-6-16(18-8-9-26-13-18)11-21(20)27(23,24)14-15-10-17-4-2-3-5-19(17)22-12-15/h2-13H,14H2,1H3
InChIKeyZGBMZWHUTKHKHC-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.48
Rot. Bonds5

About 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline

3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline (PubChem CID 162110360) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline.

Molecular Properties

Compound Name3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline
PubChem CID162110360
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline
SMILESCOc1ccc(-c2ccoc2)cc1S(=O)(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C21H17NO4S/c1-25-20-7-6-16(18-8-9-26-13-18)11-21(20)27(23,24)14-15-10-17-4-2-3-5-19(17)22-12-15/h2-13H,14H2,1H3
InChIKeyZGBMZWHUTKHKHC-UHFFFAOYSA-N
XLogP4.48
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-(Difluoromethoxy)phenyl)-1-(furan-2-yl)-3-(quinolin-8-ylthio)propan-1-one
CID 3426644
4-(3-(3-(Methylsulfonyl)phenoxy)phenyl)quinoline-3-carboxamide
CID 46225296
(3,4-Dimethylphenyl)(4-((4-ethoxyphenyl)sulfonyl)quinolin-3-yl)methanone
CID 16011009
Ethyl 4-ethylsulfonyl-6-phenylmethoxyquinoline-3-carboxylate
CID 145955738
US10155760, Example 115
CID 129279955
3-(3,4-Dimethoxyphenyl)-1-(furan-2-yl)-3-(quinolin-8-ylsulfanyl)propan-1-one
CID 4149885
(S)-3-(p-difluoromethoxyphenyl)-1-(2-furyl)-3-(8-quinolylthio)-1-propanone
CID 1279822
(6-Fluoro-4-(phenylsulfonyl)quinolin-3-yl)(4-methoxyphenyl)methanone
CID 2150081
2-[(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(furan-2-ylsulfanyl)ethyl]piperidin-3-yl]acetic acid
CID 21346684
2-[(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(furan-3-ylsulfanyl)ethyl]piperidin-3-yl]acetic acid
CID 21346686
(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[2-(furan-3-ylsulfanyl)ethyl]piperidine-3-carboxylic acid
CID 21346687
2-[(3R,4R)-4-[(3R)-3-fluoro-3-(6-methoxyquinolin-4-yl)propyl]-1-[3-(furan-2-ylsulfanyl)propyl]piperidin-3-yl]acetic acid
CID 21346964

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline?
The IUPAC name of 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline (CID 162110360) is 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline.
What is the SMILES notation for 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline?
The canonical SMILES for 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline is COc1ccc(-c2ccoc2)cc1S(=O)(=O)Cc1cnc2ccccc2c1.
What is the InChIKey of 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline?
The InChIKey is ZGBMZWHUTKHKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c1-25-20-7-6-16(18-8-9-26-13-18)11-21(20)27(23,24)14-15-10-17-4-2-3-5-19(17)22-12-15/h2-13H,14H2,1H3.
What are the key properties of 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline?
3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline has a molecular weight of 379.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-3-yl)-2-methoxyphenyl]sulfonylmethyl]quinoline is sourced from PubChem (CID 162110360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).