[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol

C26H29N3O3S — CID 139508424

IUPAC[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol
SMILESCOc1cc(C(O)C2(C)CCCCC2)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C26H29N3O3S/c1-15-10-18(22-19(11-15)28-21(32-4)14-27-22)25-29-23-17(12-16(31-3)13-20(23)33-25)24(30)26(2)8-6-5-7-9-26/h10-14,24,30H,5-9H2,1-4H3
InChIKeyCBYBUFCNMNLNKZ-UHFFFAOYSA-N
MW463.60 g/mol
LogP6.24
Rot. Bonds5

About [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol

[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol (PubChem CID 139508424) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol
PubChem CID139508424
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol
SMILESCOc1cc(C(O)C2(C)CCCCC2)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1
InChIInChI=1S/C26H29N3O3S/c1-15-10-18(22-19(11-15)28-21(32-4)14-27-22)25-29-23-17(12-16(31-3)13-20(23)33-25)24(30)26(2)8-6-5-7-9-26/h10-14,24,30H,5-9H2,1-4H3
InChIKeyCBYBUFCNMNLNKZ-UHFFFAOYSA-N
XLogP6.24
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.60
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol with MolForge

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Related Compounds

(1-methoxycyclobutyl)-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 139508381
1-[hydroxy-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methyl]cyclobutane-1-carboxylic acid
CID 155057669
2,2,2-trifluoro-1-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134181452
ethane;[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]methanol
CID 145443609
2-[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]ethanol
CID 134180622
cyclohexyl-[6-methoxy-2-[2-(methoxymethyl)-7-methylquinoxalin-5-yl]-1,3-benzothiazol-4-yl]methanol
CID 134181355
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-4-yl]-[1-(trifluoromethyl)cyclobutyl]methanol
CID 134175090
2-(2-methoxy-7-methylquinoxalin-5-yl)-[1,3]thiazolo[4,5-c]pyridine
CID 134180682
1-[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-4-yl]-2,2-dimethylpropan-1-ol
CID 139580296
2-[2-(difluoromethoxy)-7-methylquinoxalin-5-yl]-4-methoxy-6-methyl-1,3-benzothiazole
CID 134180765
1-[5-(6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-7-methylquinoxalin-2-yl]-N,N-dimethylmethanamine
CID 134181346
1-[8-(5-fluoro-6-methoxy-4-methyl-1,3-benzothiazol-2-yl)-3-methoxyquinoxalin-6-yl]ethanol
CID 134181303

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol?
The IUPAC name of [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol (CID 139508424) is [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol.
What is the SMILES notation for [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol?
The canonical SMILES for [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol is COc1cc(C(O)C2(C)CCCCC2)c2nc(-c3cc(C)cc4nc(OC)cnc34)sc2c1.
What is the InChIKey of [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol?
The InChIKey is CBYBUFCNMNLNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-15-10-18(22-19(11-15)28-21(32-4)14-27-22)25-29-23-17(12-16(31-3)13-20(23)33-25)24(30)26(2)8-6-5-7-9-26/h10-14,24,30H,5-9H2,1-4H3.
What are the key properties of [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol?
[6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol has a molecular weight of 463.60 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazol-4-yl]-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 139508424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).