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

C17H21N3OS — CID 3221528

IUPACN-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC
InChIInChI=1S/C17H21N3OS/c1-4-18-17-20(7-8-21-3)11-14-10-13-9-12(2)5-6-15(13)19-16(14)22-17/h5-6,9-10H,4,7-8,11H2,1-3H3/b18-17-
InChIKeyCYZRRJPWJMKTIP-ZCXUNETKSA-N
MW315.44 g/mol
LogP3.47
Rot. Bonds4

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

N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3221528) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3221528
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC
InChIInChI=1S/C17H21N3OS/c1-4-18-17-20(7-8-21-3)11-14-10-13-9-12(2)5-6-15(13)19-16(14)22-17/h5-6,9-10H,4,7-8,11H2,1-3H3/b18-17-
InChIKeyCYZRRJPWJMKTIP-ZCXUNETKSA-N
XLogP3.47
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3221528) is N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is CC/N=C1\Sc2nc3ccc(C)cc3cc2CN1CCOC.
What is the InChIKey of N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is CYZRRJPWJMKTIP-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-4-18-17-20(7-8-21-3)11-14-10-13-9-12(2)5-6-15(13)19-16(14)22-17/h5-6,9-10H,4,7-8,11H2,1-3H3/b18-17-.
What are the key properties of N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 315.44 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3221528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).