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

C19H25N3O2S — CID 3221536

IUPACN,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCOC
InChIInChI=1S/C19H25N3O2S/c1-13-9-14(2)17-15(10-13)11-16-12-22(6-8-24-4)19(20-5-7-23-3)25-18(16)21-17/h9-11H,5-8,12H2,1-4H3/b20-19-
InChIKeyUFXAQUPQTGMZJM-VXPUYCOJSA-N
MW359.50 g/mol
LogP3.41
Rot. Bonds6

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

N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3221536) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3221536
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCOC
InChIInChI=1S/C19H25N3O2S/c1-13-9-14(2)17-15(10-13)11-16-12-22(6-8-24-4)19(20-5-7-23-3)25-18(16)21-17/h9-11H,5-8,12H2,1-4H3/b20-19-
InChIKeyUFXAQUPQTGMZJM-VXPUYCOJSA-N
XLogP3.41
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.41
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 N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3221536) is N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is COCC/N=C1\Sc2nc3c(C)cc(C)cc3cc2CN1CCOC.
What is the InChIKey of N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is UFXAQUPQTGMZJM-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-9-14(2)17-15(10-13)11-16-12-22(6-8-24-4)19(20-5-7-23-3)25-18(16)21-17/h9-11H,5-8,12H2,1-4H3/b20-19-.
What are the key properties of N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 359.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3221536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).