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

C23H25N3O3S — CID 3221533

IUPACN-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1ccc(OC)cc1OC
InChIInChI=1S/C23H25N3O3S/c1-15-5-7-19-16(11-15)12-17-14-26(9-10-27-2)23(30-22(17)24-19)25-20-8-6-18(28-3)13-21(20)29-4/h5-8,11-13H,9-10,14H2,1-4H3/b25-23-
InChIKeyUZSRLSPMFJBBEQ-BZZOAKBMSA-N
MW423.54 g/mol
LogP4.80
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 3221533) has the molecular formula C23H25N3O3S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID3221533
Molecular FormulaC23H25N3O3S
Molecular Weight423.54 g/mol
Exact Mass423.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1ccc(OC)cc1OC
InChIInChI=1S/C23H25N3O3S/c1-15-5-7-19-16(11-15)12-17-14-26(9-10-27-2)23(30-22(17)24-19)25-20-8-6-18(28-3)13-21(20)29-4/h5-8,11-13H,9-10,14H2,1-4H3/b25-23-
InChIKeyUZSRLSPMFJBBEQ-BZZOAKBMSA-N
XLogP4.80
TPSA56.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 3221533) is N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is COCCN1Cc2cc3cc(C)ccc3nc2S/C1=N\c1ccc(OC)cc1OC.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is UZSRLSPMFJBBEQ-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N3O3S/c1-15-5-7-19-16(11-15)12-17-14-26(9-10-27-2)23(30-22(17)24-19)25-20-8-6-18(28-3)13-21(20)29-4/h5-8,11-13H,9-10,14H2,1-4H3/b25-23-.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 423.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-(2-methoxyethyl)-7-methyl-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 3221533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).