7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline

C22H15ClFNOS — CID 122440024

IUPAC7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline
SMILESFc1ccc(Sc2cc(Cl)c(OCc3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C22H15ClFNOS/c23-19-13-20(27-17-10-8-16(24)9-11-17)18-7-4-12-25-21(18)22(19)26-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyCJFFMQICDNWNIY-UHFFFAOYSA-N
MW395.89 g/mol
LogP6.76
Rot. Bonds5

About 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline

7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline (PubChem CID 122440024) has the molecular formula C22H15ClFNOS and a molecular weight of 395.89 g/mol. Its IUPAC name is 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline.

Molecular Properties

Compound Name7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline
PubChem CID122440024
Molecular FormulaC22H15ClFNOS
Molecular Weight395.89 g/mol
Exact Mass395.05
IUPAC Name7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline
SMILESFc1ccc(Sc2cc(Cl)c(OCc3ccccc3)c3ncccc23)cc1
InChIInChI=1S/C22H15ClFNOS/c23-19-13-20(27-17-10-8-16(24)9-11-17)18-7-4-12-25-21(18)22(19)26-14-15-5-2-1-3-6-15/h1-13H,14H2
InChIKeyCJFFMQICDNWNIY-UHFFFAOYSA-N
XLogP6.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.89
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline 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

2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
1-chloro-4-fluoro-2-phenylmethoxybenzene
CID 91656120
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
N-tert-butyl-2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-oxoacetamide
CID 42604954
5-[(4-fluorophenyl)methoxy]quinolin-8-amine
CID 116524613
N-[[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126122230
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
2-(5-chloro-8-phenylmethoxyquinolin-7-yl)-2-[4-(morpholin-4-ylmethyl)phenyl]ethanol
CID 68862659
2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
CID 105403621
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
8-phenylmethoxyquinolin-6-amine
CID 22053377

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline?
The IUPAC name of 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline (CID 122440024) is 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline.
What is the SMILES notation for 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline?
The canonical SMILES for 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline is Fc1ccc(Sc2cc(Cl)c(OCc3ccccc3)c3ncccc23)cc1.
What is the InChIKey of 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline?
The InChIKey is CJFFMQICDNWNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNOS/c23-19-13-20(27-17-10-8-16(24)9-11-17)18-7-4-12-25-21(18)22(19)26-14-15-5-2-1-3-6-15/h1-13H,14H2.
What are the key properties of 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline?
7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline has a molecular weight of 395.89 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-fluorophenyl)sulfanyl-8-phenylmethoxyquinoline is sourced from PubChem (CID 122440024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).