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

C20H21N3OS2 — CID 3213232

IUPACN-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1cccs1
InChIInChI=1S/C20H21N3OS2/c1-14-5-6-18-15(10-14)11-16-12-23(13-17-4-3-9-25-17)20(21-7-8-24-2)26-19(16)22-18/h3-6,9-11H,7-8,12-13H2,1-2H3/b21-20-
InChIKeyJGGAZCMRXUBPAS-MRCUWXFGSA-N
MW383.54 g/mol
LogP4.72
Rot. Bonds5

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

N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3213232) has the molecular formula C20H21N3OS2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3213232
Molecular FormulaC20H21N3OS2
Molecular Weight383.54 g/mol
Exact Mass383.11
IUPAC NameN-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1cccs1
InChIInChI=1S/C20H21N3OS2/c1-14-5-6-18-15(10-14)11-16-12-23(13-17-4-3-9-25-17)20(21-7-8-24-2)26-19(16)22-18/h3-6,9-11H,7-8,12-13H2,1-2H3/b21-20-
InChIKeyJGGAZCMRXUBPAS-MRCUWXFGSA-N
XLogP4.72
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.72
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-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine with MolForge

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Related Compounds

(R)-4-(4-methyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)thiazol-2-yl)morpholine
CID 11669001
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(thiophen-2-yl)quinoline
CID 25156480
4-(4-Methyl-1-piperazinyl)-2-(2-thienyl)quinoline
CID 453076
6-[2-(2-Methylpyrrolidin-1-yl)ethyl]-2-thiophen-2-ylquinoline
CID 56673158
(R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(thiophen-3-yl)quinoline
CID 10426299
N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3221534
N-(2-methoxyethyl)-7,8-dimethyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3224061
6-[2-(2-Methylpyrrolidin-1-yl)ethyl]-2-thiophen-3-ylquinoline
CID 56673157
4-(Piperidin-1-yl)-2-(thiophen-2-yl)quinoline
CID 704268
4-(6-Methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
CID 90681590
4-(7-Methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine
CID 90681600
4-(6-Methyl-3-thiophen-2-ylisoquinolin-1-yl)morpholine;hydrochloride
CID 90681591

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3213232) is N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is COCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1cccs1.
What is the InChIKey of N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is JGGAZCMRXUBPAS-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H21N3OS2/c1-14-5-6-18-15(10-14)11-16-12-23(13-17-4-3-9-25-17)20(21-7-8-24-2)26-19(16)22-18/h3-6,9-11H,7-8,12-13H2,1-2H3/b21-20-.
What are the key properties of N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 383.54 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3213232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).