2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline

C20H16FN3S — CID 112819129

IUPAC2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CSCc1cc(F)cc2cccnc12
InChIInChI=1S/C20H16FN3S/c1-13-19(24-18-7-3-2-6-17(18)23-13)12-25-11-15-10-16(21)9-14-5-4-8-22-20(14)15/h2-10H,11-12H2,1H3
InChIKeyRGMCWSGYAWPZHJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.06
Rot. Bonds4

About 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline

2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline (PubChem CID 112819129) has the molecular formula C20H16FN3S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
PubChem CID112819129
Molecular FormulaC20H16FN3S
Molecular Weight349.43 g/mol
Exact Mass349.10
IUPAC Name2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CSCc1cc(F)cc2cccnc12
InChIInChI=1S/C20H16FN3S/c1-13-19(24-18-7-3-2-6-17(18)23-13)12-25-11-15-10-16(21)9-14-5-4-8-22-20(14)15/h2-10H,11-12H2,1H3
InChIKeyRGMCWSGYAWPZHJ-UHFFFAOYSA-N
XLogP5.06
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 71889743
(2R)-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propane-1,2-diol
CID 97079677
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]aniline
CID 43249014
8-(azetidin-3-ylmethylsulfanylmethyl)-6-fluoroquinoline
CID 66289908
8-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-6-fluoroquinoline
CID 38827126
(2R)-2-amino-3-[(6-fluoroquinolin-8-yl)methylsulfanyl]propanoic acid
CID 61141175
8-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]-6-fluoroquinoline
CID 112819128
1-(6-fluoroquinolin-8-yl)-N-methylmethanamine
CID 115697313
3-(6-fluoroquinolin-8-yl)propan-1-amine
CID 82576719
N-[2-(4-fluorophenyl)ethyl]-2-[(6-fluoroquinolin-8-yl)methylsulfanyl]acetamide
CID 87033588
2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline
CID 112779380
2-[(6-fluoroquinolin-8-yl)methylsulfanyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 38833062

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
The IUPAC name of 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline (CID 112819129) is 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline.
What is the SMILES notation for 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
The canonical SMILES for 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline is Cc1nc2ccccc2nc1CSCc1cc(F)cc2cccnc12.
What is the InChIKey of 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
The InChIKey is RGMCWSGYAWPZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3S/c1-13-19(24-18-7-3-2-6-17(18)23-13)12-25-11-15-10-16(21)9-14-5-4-8-22-20(14)15/h2-10H,11-12H2,1H3.
What are the key properties of 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline has a molecular weight of 349.43 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline is sourced from PubChem (CID 112819129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).