1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol

C20H18FN3O3S — CID 134181303

IUPAC1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol
SMILESCOc1cnc2c(-c3nc4c(C)c(F)c(OC)cc4s3)cc(C(C)O)cc2n1
InChIInChI=1S/C20H18FN3O3S/c1-9-17(21)14(26-3)7-15-18(9)24-20(28-15)12-5-11(10(2)25)6-13-19(12)22-8-16(23-13)27-4/h5-8,10,25H,1-4H3
InChIKeyOVJFIPZFAPDZLJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.42
Rot. Bonds4

About 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol

1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol (PubChem CID 134181303) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol.

Molecular Properties

Compound Name1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol
PubChem CID134181303
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC Name1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol
SMILESCOc1cnc2c(-c3nc4c(C)c(F)c(OC)cc4s3)cc(C(C)O)cc2n1
InChIInChI=1S/C20H18FN3O3S/c1-9-17(21)14(26-3)7-15-18(9)24-20(28-15)12-5-11(10(2)25)6-13-19(12)22-8-16(23-13)27-4/h5-8,10,25H,1-4H3
InChIKeyOVJFIPZFAPDZLJ-UHFFFAOYSA-N
XLogP4.42
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol 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-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-1,3-benzothiazol-6-yl]oxy]ethyl N-(6-fluoro-3-pyridinyl)carbamate
CID 139522633
2,2,2-trifluoro-1-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134181452
(2R)-2-[[5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-1-ol
CID 134180418
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
2-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]ethyl carbamate
CID 139522908
4,5-difluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazole
CID 139522691
[5-fluoro-6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-4-yl]methanol
CID 153434366
[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol
CID 139508424
(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 139508381
1-[[6-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]propan-2-ol
CID 139508405
ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 145443609
[(2R)-1-[[4-chloro-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-6-yl]oxy]propan-2-yl]-(6-fluoro-5-methyl-3-pyridinyl)carbamic acid
CID 155057727

Frequently Asked Questions

What is the IUPAC name of 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol?
The IUPAC name of 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol (CID 134181303) is 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol.
What is the SMILES notation for 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol?
The canonical SMILES for 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol is COc1cnc2c(-c3nc4c(C)c(F)c(OC)cc4s3)cc(C(C)O)cc2n1.
What is the InChIKey of 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol?
The InChIKey is OVJFIPZFAPDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-9-17(21)14(26-3)7-15-18(9)24-20(28-15)12-5-11(10(2)25)6-13-19(12)22-8-16(23-13)27-4/h5-8,10,25H,1-4H3.
What are the key properties of 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol?
1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol has a molecular weight of 399.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol is sourced from PubChem (CID 134181303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).