2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline

C20H16ClN3S — CID 71889743

IUPAC2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CSCc1c(Cl)ccc2cccnc12
InChIInChI=1S/C20H16ClN3S/c1-13-19(24-18-7-3-2-6-17(18)23-13)12-25-11-15-16(21)9-8-14-5-4-10-22-20(14)15/h2-10H,11-12H2,1H3
InChIKeyNZXQSEJMHGDKTA-UHFFFAOYSA-N
MW365.89 g/mol
LogP5.57
Rot. Bonds4

About 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline

2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline (PubChem CID 71889743) has the molecular formula C20H16ClN3S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline.

Molecular Properties

Compound Name2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
PubChem CID71889743
Molecular FormulaC20H16ClN3S
Molecular Weight365.89 g/mol
Exact Mass365.08
IUPAC Name2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1CSCc1c(Cl)ccc2cccnc12
InChIInChI=1S/C20H16ClN3S/c1-13-19(24-18-7-3-2-6-17(18)23-13)12-25-11-15-16(21)9-8-14-5-4-10-22-20(14)15/h2-10H,11-12H2,1H3
InChIKeyNZXQSEJMHGDKTA-UHFFFAOYSA-N
XLogP5.57
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.89
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-8-(2-methylpropylsulfanylmethyl)quinoline
CID 55754155
2-[(6-fluoroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 112819129
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanylmethyl]-3-methylquinoxaline
CID 112795966
2-methyl-3-(2-methylpropylsulfanylmethyl)quinoxaline
CID 112779380
8-(chloromethyl)-7-methylquinoline
CID 165444274
2-(imidazo[1,2-a]pyrazin-8-ylsulfanylmethyl)-3-methylquinoxaline
CID 99801217
1,10-phenanthroline;samarium
CID 174616745
(3-methylquinoxalin-2-yl)methyl 2-methylsulfanylpyridine-3-carboxylate
CID 18079281
7-chloroquinoline-8-thiol
CID 86200292
6-methylpyrido[2,3-c][1,5]naphthyridine
CID 163955325
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
8-chloroquinoline;ethane
CID 142246255

Frequently Asked Questions

What is the IUPAC name of 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
The IUPAC name of 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline (CID 71889743) is 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline.
What is the SMILES notation for 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
The canonical SMILES for 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline is Cc1nc2ccccc2nc1CSCc1c(Cl)ccc2cccnc12.
What is the InChIKey of 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
The InChIKey is NZXQSEJMHGDKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3S/c1-13-19(24-18-7-3-2-6-17(18)23-13)12-25-11-15-16(21)9-8-14-5-4-10-22-20(14)15/h2-10H,11-12H2,1H3.
What are the key properties of 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline?
2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline has a molecular weight of 365.89 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-chloroquinolin-8-yl)methylsulfanylmethyl]-3-methylquinoxaline is sourced from PubChem (CID 71889743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).