N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C21H20FN3OS — CID 5193965

IUPACN-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C21H20FN3OS/c1-14-3-8-19-15(11-14)12-16-13-25(9-10-26-2)21(27-20(16)24-19)23-18-6-4-17(22)5-7-18/h3-8,11-12H,9-10,13H2,1-2H3/b23-21-
InChIKeyHWTUBTSSPHSKNG-LNVKXUELSA-N
MW381.48 g/mol
LogP4.92
Rot. Bonds4

About N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 5193965) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID5193965
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC NameN-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1ccc(F)cc1
InChIInChI=1S/C21H20FN3OS/c1-14-3-8-19-15(11-14)12-16-13-25(9-10-26-2)21(27-20(16)24-19)23-18-6-4-17(22)5-7-18/h3-8,11-12H,9-10,13H2,1-2H3/b23-21-
InChIKeyHWTUBTSSPHSKNG-LNVKXUELSA-N
XLogP4.92
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 5193965) is N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is HWTUBTSSPHSKNG-LNVKXUELSA-N. The full InChI is InChI=1S/C21H20FN3OS/c1-14-3-8-19-15(11-14)12-16-13-25(9-10-26-2)21(27-20(16)24-19)23-18-6-4-17(22)5-7-18/h3-8,11-12H,9-10,13H2,1-2H3/b23-21-.
What are the key properties of N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 381.48 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 5193965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).