8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one

C19H20FNO3S — CID 118904602

IUPAC8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(CN2C(=O)CCc3c(OCSC)ccc(F)c32)cc1
InChIInChI=1S/C19H20FNO3S/c1-23-14-5-3-13(4-6-14)11-21-18(22)10-7-15-17(24-12-25-2)9-8-16(20)19(15)21/h3-6,8-9H,7,10-12H2,1-2H3
InChIKeyYUHSQZSSWBCMAC-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.01
Rot. Bonds6

About 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one

8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one (PubChem CID 118904602) has the molecular formula C19H20FNO3S and a molecular weight of 361.44 g/mol. Its IUPAC name is 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one
PubChem CID118904602
Molecular FormulaC19H20FNO3S
Molecular Weight361.44 g/mol
Exact Mass361.11
IUPAC Name8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(CN2C(=O)CCc3c(OCSC)ccc(F)c32)cc1
InChIInChI=1S/C19H20FNO3S/c1-23-14-5-3-13(4-6-14)11-21-18(22)10-7-15-17(24-12-25-2)9-8-16(20)19(15)21/h3-6,8-9H,7,10-12H2,1-2H3
InChIKeyYUHSQZSSWBCMAC-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-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

4-[[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]-3-hydroxypiperidine-1-carboxylic acid
CID 118904483
[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl 3,6-dihydro-2H-pyridine-1-carboxylate
CID 142798174
8-fluoro-5-[[(3R,4S)-3-fluoro-4-hydroxypiperidin-4-yl]methoxy]-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 118905067
8-fluoro-5-[[(3S,4S)-4-hydroxy-3-methoxypiperidin-4-yl]methoxy]-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 118905128
tert-butyl 4-[[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 118904431
4-[[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]-4-isocyanatopiperidine-1-carboxylic acid
CID 118904927
tert-butyl 4-[[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]-4-isocyanatopiperidine-1-carboxylate
CID 118904817
1-(3,5-dichloro-2-pyridinyl)-4-[[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]piperidine-4-carboxylic acid
CID 118904181
5-[[4-amino-1-(4-chloro-2,6-difluorophenyl)piperidin-4-yl]methoxy]-8-chloro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 118904161
ethyl 1-(2,5-difluorophenyl)-4-[[8-fluoro-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydroquinolin-5-yl]oxymethyl]piperidine-4-carboxylate
CID 118904475
5-[[(3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-4-trimethylsilyloxypiperidin-4-yl]methoxy]-8-fluoro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 140808542
5-[[4-amino-1-(4-chloro-2-fluorophenyl)piperidin-4-yl]methoxy]-8-chloro-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 118903952

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one?
The IUPAC name of 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one (CID 118904602) is 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one is COc1ccc(CN2C(=O)CCc3c(OCSC)ccc(F)c32)cc1.
What is the InChIKey of 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one?
The InChIKey is YUHSQZSSWBCMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3S/c1-23-14-5-3-13(4-6-14)11-21-18(22)10-7-15-17(24-12-25-2)9-8-16(20)19(15)21/h3-6,8-9H,7,10-12H2,1-2H3.
What are the key properties of 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one?
8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one has a molecular weight of 361.44 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-[(4-methoxyphenyl)methyl]-5-(methylsulfanylmethoxy)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118904602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).