6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one

C20H23NO3S — CID 20540046

IUPAC6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1SCCCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H23NO3S/c1-23-18-6-2-3-7-19(18)25-13-5-4-12-24-16-9-10-17-15(14-16)8-11-20(22)21-17/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,21,22)
InChIKeyKUSFMPGWDAZCQY-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.53
Rot. Bonds8

About 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one

6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 20540046) has the molecular formula C20H23NO3S and a molecular weight of 357.48 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID20540046
Molecular FormulaC20H23NO3S
Molecular Weight357.48 g/mol
Exact Mass357.14
IUPAC Name6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccccc1SCCCCOc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C20H23NO3S/c1-23-18-6-2-3-7-19(18)25-13-5-4-12-24-16-9-10-17-15(14-16)8-11-20(22)21-17/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,21,22)
InChIKeyKUSFMPGWDAZCQY-UHFFFAOYSA-N
XLogP4.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one 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

6-[4-(2,4,5-trichlorophenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20539979
6-(4-pyridin-2-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20539996
6-(4-pyridin-4-ylsulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 20540127
6-[4-(1-oxidopyridin-1-ium-2-yl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20540110
anisole;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88692964
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanamide
CID 55678506
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
6-[4-(benzenesulfinyl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 13138341
6-[4-(3,4-dimethoxyphenyl)sulfanyliminobutoxy]-3,4-dihydro-1H-quinolin-2-one
CID 88706414
1,4-dichlorobenzene;6-(4-sulfanylbutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 88753256
7-(4-methoxybutoxy)-3,4-dihydro-1H-quinolin-2-one
CID 114940015

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one (CID 20540046) is 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one is COc1ccccc1SCCCCOc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is KUSFMPGWDAZCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3S/c1-23-18-6-2-3-7-19(18)25-13-5-4-12-24-16-9-10-17-15(14-16)8-11-20(22)21-17/h2-3,6-7,9-10,14H,4-5,8,11-13H2,1H3,(H,21,22).
What are the key properties of 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 357.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)sulfanylbutoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 20540046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).