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

C19H25N3OS — CID 3221534

IUPACN-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCCC(C)/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC
InChIInChI=1S/C19H25N3OS/c1-5-14(3)20-19-22(8-9-23-4)12-16-11-15-10-13(2)6-7-17(15)21-18(16)24-19/h6-7,10-11,14H,5,8-9,12H2,1-4H3/b20-19-
InChIKeyHLINZDDCEAFZGB-VXPUYCOJSA-N
MW343.50 g/mol
LogP4.25
Rot. Bonds5

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

N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3221534) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3221534
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCCC(C)/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC
InChIInChI=1S/C19H25N3OS/c1-5-14(3)20-19-22(8-9-23-4)12-16-11-15-10-13(2)6-7-17(15)21-18(16)24-19/h6-7,10-11,14H,5,8-9,12H2,1-4H3/b20-19-
InChIKeyHLINZDDCEAFZGB-VXPUYCOJSA-N
XLogP4.25
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-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
6,8-dimethyl-N-(2-methylpropyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 1440312
[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-(2-methoxyethyl)-7,8-dimethyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3224061
Quinolinium, 1,6-dimethyl-2-(2-(methylthio)-2-(4-morpholinyl)ethenyl)-, iodide
CID 6439785
8,9-dimethyl-N-(3-methylphenyl)-3-[2-(4-morpholinyl)ethyl]-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 1440275
4-(2,6-Dimethylquinolin-4-yl)morpholine hydrochloride
CID 2789813
N-(2-methoxyethyl)-7-methyl-3-(thiophen-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
CID 3213232
4-(6-Methyl-4-methylsulfanylquinazolin-2-yl)morpholine
CID 3849273
4-(7-Methyl-1,2,3,4-tetrahydroacridin-9-yl)morpholine
CID 168294738
4-(2,6-Dimethyl-4-quinolyl)morpholine
CID 719882
4-Methyl-2-(2-morpholin-4-ylethylthio)quinoline
CID 864909

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3221534) is N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is CCC(C)/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC.
What is the InChIKey of N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is HLINZDDCEAFZGB-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-5-14(3)20-19-22(8-9-23-4)12-16-11-15-10-13(2)6-7-17(15)21-18(16)24-19/h6-7,10-11,14H,5,8-9,12H2,1-4H3/b20-19-.
What are the key properties of N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 343.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3221534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).