3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C20H21N3O2S — CID 3213217

IUPAC3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCC/N=C1\Sc2nc3c(C)cccc3cc2CN1Cc1ccco1
InChIInChI=1S/C20H21N3O2S/c1-14-5-3-6-15-11-16-12-23(13-17-7-4-9-25-17)20(21-8-10-24-2)26-19(16)22-18(14)15/h3-7,9,11H,8,10,12-13H2,1-2H3/b21-20-
InChIKeyFIUFLAMLZBCURL-MRCUWXFGSA-N
MW367.47 g/mol
LogP4.25
Rot. Bonds5

About 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3213217) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3213217
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCC/N=C1\Sc2nc3c(C)cccc3cc2CN1Cc1ccco1
InChIInChI=1S/C20H21N3O2S/c1-14-5-3-6-15-11-16-12-23(13-17-7-4-9-25-17)20(21-8-10-24-2)26-19(16)22-18(14)15/h3-7,9,11H,8,10,12-13H2,1-2H3/b21-20-
InChIKeyFIUFLAMLZBCURL-MRCUWXFGSA-N
XLogP4.25
TPSA50.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3213217) is 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is COCC/N=C1\Sc2nc3c(C)cccc3cc2CN1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is FIUFLAMLZBCURL-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-5-3-6-15-11-16-12-23(13-17-7-4-9-25-17)20(21-8-10-24-2)26-19(16)22-18(14)15/h3-7,9,11H,8,10,12-13H2,1-2H3/b21-20-.
What are the key properties of 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 367.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-N-(2-methoxyethyl)-9-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3213217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).