2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole

C20H17N3O2S — CID 134174328

IUPAC2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(C)O5)cc(C)cc2n1
InChIInChI=1S/C20H17N3O2S/c1-10-6-13(18-15(7-10)22-17(24-3)9-21-18)20-23-14-4-5-16-12(19(14)26-20)8-11(2)25-16/h4-7,9,11H,8H2,1-3H3
InChIKeyVOOZRCWUHDMOKR-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.55
Rot. Bonds2

About 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole

2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole (PubChem CID 134174328) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
PubChem CID134174328
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(C)O5)cc(C)cc2n1
InChIInChI=1S/C20H17N3O2S/c1-10-6-13(18-15(7-10)22-17(24-3)9-21-18)20-23-14-4-5-16-12(19(14)26-20)8-11(2)25-16/h4-7,9,11H,8H2,1-3H3
InChIKeyVOOZRCWUHDMOKR-UHFFFAOYSA-N
XLogP4.55
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole (CID 134174328) is 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole is COc1cnc2c(-c3nc4ccc5c(c4s3)CC(C)O5)cc(C)cc2n1.
What is the InChIKey of 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
The InChIKey is VOOZRCWUHDMOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-10-6-13(18-15(7-10)22-17(24-3)9-21-18)20-23-14-4-5-16-12(19(14)26-20)8-11(2)25-16/h4-7,9,11H,8H2,1-3H3.
What are the key properties of 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole?
2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole has a molecular weight of 363.44 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 134174328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).