[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol

C21H19N3O3S — CID 134174859

IUPAC[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(C)(CO)O5)cc(C)cc2n1
InChIInChI=1S/C21H19N3O3S/c1-11-6-12(18-15(7-11)23-17(26-3)9-22-18)20-24-14-4-5-16-13(19(14)28-20)8-21(2,10-25)27-16/h4-7,9,25H,8,10H2,1-3H3
InChIKeyJANLPHZWGSKYQR-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.91
Rot. Bonds3

About [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol

[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol (PubChem CID 134174859) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol.

Molecular Properties

Compound Name[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol
PubChem CID134174859
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC Name[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol
SMILESCOc1cnc2c(-c3nc4ccc5c(c4s3)CC(C)(CO)O5)cc(C)cc2n1
InChIInChI=1S/C21H19N3O3S/c1-11-6-12(18-15(7-11)23-17(26-3)9-22-18)20-24-14-4-5-16-13(19(14)28-20)8-21(2,10-25)27-16/h4-7,9,25H,8,10H2,1-3H3
InChIKeyJANLPHZWGSKYQR-UHFFFAOYSA-N
XLogP3.91
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-7,8-dihydrofuro[2,3-g][1,3]benzothiazole
CID 134174328
(1R)-1-[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]ethanol
CID 139580079
[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580122
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(2-methylpyrimidin-5-yl)carbamic acid
CID 139580082
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl-(oxan-4-yl)carbamic acid
CID 139580120
7-(azidomethyl)-5-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazole
CID 139580294
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl N-(2-methylpropyl)carbamate
CID 175222598
7-ethyl-6-methoxy-2-(2-methoxy-7-methylquinoxalin-5-yl)-1,3-benzothiazole
CID 134174989
[(7S)-2-(2-methoxy-7-methylquinoxalin-5-yl)-4-methyl-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methanol
CID 134174788
oxolan-3-yl N-[[2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydrofuro[2,3-g][1,3]benzothiazol-7-yl]methyl]carbamate
CID 139579994
[(7R)-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazol-7-yl]methyl-(1H-pyrrolo[2,3-b]pyridin-5-yl)carbamic acid
CID 155057530
4-fluoro-2-(2-methoxy-7-methylquinoxalin-5-yl)-7,8-dihydro-[1,4]dioxino[2,3-g][1,3]benzothiazole
CID 134174874

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol?
The IUPAC name of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol (CID 134174859) is [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol.
What is the SMILES notation for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol?
The canonical SMILES for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol is COc1cnc2c(-c3nc4ccc5c(c4s3)CC(C)(CO)O5)cc(C)cc2n1.
What is the InChIKey of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol?
The InChIKey is JANLPHZWGSKYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-11-6-12(18-15(7-11)23-17(26-3)9-22-18)20-24-14-4-5-16-13(19(14)28-20)8-21(2,10-25)27-16/h4-7,9,25H,8,10H2,1-3H3.
What are the key properties of [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol?
[2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol has a molecular weight of 393.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-7-methylquinoxalin-5-yl)-7-methyl-8H-furo[2,3-g][1,3]benzothiazol-7-yl]methanol is sourced from PubChem (CID 134174859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).