8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline

C19H15ClFNO2S — CID 112819128

IUPAC8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline
SMILESFc1cc(CSCc2cc(Cl)cc3c2OCOC3)c2ncccc2c1
InChIInChI=1S/C19H15ClFNO2S/c20-16-4-13-8-23-11-24-19(13)15(5-16)10-25-9-14-7-17(21)6-12-2-1-3-22-18(12)14/h1-7H,8-11H2
InChIKeyFLIDINLOWFRHDU-UHFFFAOYSA-N
MW375.85 g/mol
LogP5.33
Rot. Bonds4

About 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline

8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline (PubChem CID 112819128) has the molecular formula C19H15ClFNO2S and a molecular weight of 375.85 g/mol. Its IUPAC name is 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline.

Molecular Properties

Compound Name8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline
PubChem CID112819128
Molecular FormulaC19H15ClFNO2S
Molecular Weight375.85 g/mol
Exact Mass375.05
IUPAC Name8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline
SMILESFc1cc(CSCc2cc(Cl)cc3c2OCOC3)c2ncccc2c1
InChIInChI=1S/C19H15ClFNO2S/c20-16-4-13-8-23-11-24-19(13)15(5-16)10-25-9-14-7-17(21)6-12-2-1-3-22-18(12)14/h1-7H,8-11H2
InChIKeyFLIDINLOWFRHDU-UHFFFAOYSA-N
XLogP5.33
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.85
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline with MolForge

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Related Compounds

6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine
CID 97237765
6-chloro-8-[(2,6-dichlorophenyl)sulfanylmethyl]-4H-1,3-benzodioxine
CID 7466968
2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 112819129
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
CID 66289908
(2R)-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propane-1,2-diol
CID 97079677
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-(pyridin-2-ylmethyl)propan-2-amine
CID 51086846
(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249014
2-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]isoquinolin-2-ium
CID 24512272
6-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridin-3-amine
CID 43300931
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478

Frequently Asked Questions

What is the IUPAC name of 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline?
The IUPAC name of 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline (CID 112819128) is 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline.
What is the SMILES notation for 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline?
The canonical SMILES for 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline is Fc1cc(CSCc2cc(Cl)cc3c2OCOC3)c2ncccc2c1.
What is the InChIKey of 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline?
The InChIKey is FLIDINLOWFRHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO2S/c20-16-4-13-8-23-11-24-19(13)15(5-16)10-25-9-14-7-17(21)6-12-2-1-3-22-18(12)14/h1-7H,8-11H2.
What are the key properties of 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline?
8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline has a molecular weight of 375.85 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline is sourced from PubChem (CID 112819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).