6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C23H32N4OS — CID 1440312

IUPAC6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCc1cc(C)c2cc3c(nc2c1)S/C(=N\CC(C)C)N(CCN1CCOCC1)C3
InChIInChI=1S/C23H32N4OS/c1-16(2)14-24-23-27(6-5-26-7-9-28-10-8-26)15-19-13-20-18(4)11-17(3)12-21(20)25-22(19)29-23/h11-13,16H,5-10,14-15H2,1-4H3/b24-23-
InChIKeyJDUMWPGMGCMAPI-VHXPQNKSSA-N
MW412.60 g/mol
LogP4.10
Rot. Bonds5

About 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 1440312) has the molecular formula C23H32N4OS and a molecular weight of 412.60 g/mol. Its IUPAC name is 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound Name6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID1440312
Molecular FormulaC23H32N4OS
Molecular Weight412.60 g/mol
Exact Mass412.23
IUPAC Name6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCc1cc(C)c2cc3c(nc2c1)S/C(=N\CC(C)C)N(CCN1CCOCC1)C3
InChIInChI=1S/C23H32N4OS/c1-16(2)14-24-23-27(6-5-26-7-9-28-10-8-26)15-19-13-20-18(4)11-17(3)12-21(20)25-22(19)29-23/h11-13,16H,5-10,14-15H2,1-4H3/b24-23-
InChIKeyJDUMWPGMGCMAPI-VHXPQNKSSA-N
XLogP4.10
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine with MolForge

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Related Compounds

[5,7-Dimethyl-3-(2-morpholin-4-yl-ethyl)-3,4-dihydro-1-thia-3,9-diaza-anthracen-(2E)-ylidene]-p-tolyl-amine
CID 1440319
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
8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 1440275
2-Imino-3-(2-methoxyethyl)-8,9-dimethyl-3,4-dihydro-2h-[1,3]thiazino[6,5-b]quinoline
CID 129787550
N-(4-fluorophenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 5193965
4-[2-(4,7,8-Trimethylquinolin-2-yl)sulfanylethyl]morpholine
CID 864309
N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3213219
N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3221528
N-ethyl-3-(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3221535
N,3-bis(2-methoxyethyl)-7,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3221536
N-(3-ethoxypropyl)-3-(2-methoxyethyl)-8,9-dimethyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3224068

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 1440312) is 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is Cc1cc(C)c2cc3c(nc2c1)S/C(=N\CC(C)C)N(CCN1CCOCC1)C3.
What is the InChIKey of 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is JDUMWPGMGCMAPI-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H32N4OS/c1-16(2)14-24-23-27(6-5-26-7-9-28-10-8-26)15-19-13-20-18(4)11-17(3)12-21(20)25-22(19)29-23/h11-13,16H,5-10,14-15H2,1-4H3/b24-23-.
What are the key properties of 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 412.60 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 1440312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).