N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C18H23N3OS — CID 3221535

IUPACN-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCOC
InChIInChI=1S/C18H23N3OS/c1-5-19-18-21(6-7-22-4)11-15-10-14-9-12(2)8-13(3)16(14)20-17(15)23-18/h8-10H,5-7,11H2,1-4H3/b19-18-
InChIKeyGCPRCOKJXGDXLR-HNENSFHCSA-N
MW329.47 g/mol
LogP3.78
Rot. Bonds4

About N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3221535) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3221535
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCOC
InChIInChI=1S/C18H23N3OS/c1-5-19-18-21(6-7-22-4)11-15-10-14-9-12(2)8-13(3)16(14)20-17(15)23-18/h8-10H,5-7,11H2,1-4H3/b19-18-
InChIKeyGCPRCOKJXGDXLR-HNENSFHCSA-N
XLogP3.78
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.78
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-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3221535) is N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is CC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCOC.
What is the InChIKey of N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is GCPRCOKJXGDXLR-HNENSFHCSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-5-19-18-21(6-7-22-4)11-15-10-14-9-12(2)8-13(3)16(14)20-17(15)23-18/h8-10H,5-7,11H2,1-4H3/b19-18-.
What are the key properties of N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 329.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3221535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).