N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C21H29N3O2S — CID 3224068

IUPACN-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCCOCCC/N=C1\Sc2nc3c(C)c(C)ccc3cc2CN1CCOC
InChIInChI=1S/C21H29N3O2S/c1-5-26-11-6-9-22-21-24(10-12-25-4)14-18-13-17-8-7-15(2)16(3)19(17)23-20(18)27-21/h7-8,13H,5-6,9-12,14H2,1-4H3/b22-21-
InChIKeyUYKAKCLLFKGQOA-DQRAZIAOSA-N
MW387.55 g/mol
LogP4.19
Rot. Bonds8

About N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3224068) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3224068
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC NameN-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCCOCCC/N=C1\Sc2nc3c(C)c(C)ccc3cc2CN1CCOC
InChIInChI=1S/C21H29N3O2S/c1-5-26-11-6-9-22-21-24(10-12-25-4)14-18-13-17-8-7-15(2)16(3)19(17)23-20(18)27-21/h7-8,13H,5-6,9-12,14H2,1-4H3/b22-21-
InChIKeyUYKAKCLLFKGQOA-DQRAZIAOSA-N
XLogP4.19
TPSA46.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 54.19
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'}

Analyze N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3224068) is N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is CCOCCC/N=C1\Sc2nc3c(C)c(C)ccc3cc2CN1CCOC.
What is the InChIKey of N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is UYKAKCLLFKGQOA-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-5-26-11-6-9-22-21-24(10-12-25-4)14-18-13-17-8-7-15(2)16(3)19(17)23-20(18)27-21/h7-8,13H,5-6,9-12,14H2,1-4H3/b22-21-.
What are the key properties of N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 387.55 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3224068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).