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

C18H21N3OS — CID 3213219

IUPACN,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESC/N=C1\Sc2nc3ccc(C)cc3cc2CN1CC1CCCO1
InChIInChI=1S/C18H21N3OS/c1-12-5-6-16-13(8-12)9-14-10-21(11-15-4-3-7-22-15)18(19-2)23-17(14)20-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3/b19-18-
InChIKeyLNDCLJXTGKCNMF-HNENSFHCSA-N
MW327.45 g/mol
LogP3.62
Rot. Bonds2

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

N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3213219) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3213219
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC NameN,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESC/N=C1\Sc2nc3ccc(C)cc3cc2CN1CC1CCCO1
InChIInChI=1S/C18H21N3OS/c1-12-5-6-16-13(8-12)9-14-10-21(11-15-4-3-7-22-15)18(19-2)23-17(14)20-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3/b19-18-
InChIKeyLNDCLJXTGKCNMF-HNENSFHCSA-N
XLogP3.62
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-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
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
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-Methyl-2-(2-morpholin-4-ylethylthio)quinoline
CID 864909
4-[2-(3-Methylquinolin-2-yl)sulfanylethyl]morpholine
CID 6486972
8-methyl-N-(2-morpholin-4-ylethyl)-3H-[1,3,4]thiadiazepino[7,6-b]quinolin-2-imine
CID 136245047

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3213219) is N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is C/N=C1\Sc2nc3ccc(C)cc3cc2CN1CC1CCCO1.
What is the InChIKey of N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is LNDCLJXTGKCNMF-HNENSFHCSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-5-6-16-13(8-12)9-14-10-21(11-15-4-3-7-22-15)18(19-2)23-17(14)20-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3/b19-18-.
What are the key properties of N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 327.45 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-3-(oxolan-2-ylmethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3213219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).