8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

C26H30N4OS — CID 1440275

IUPAC8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCc1cccc(/N=C2\Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1
InChIInChI=1S/C26H30N4OS/c1-18-5-4-6-23(15-18)27-26-30(10-9-29-11-13-31-14-12-29)17-22-16-21-8-7-19(2)20(3)24(21)28-25(22)32-26/h4-8,15-16H,9-14,17H2,1-3H3/b27-26-
InChIKeyFRJAILGXXXSCHA-RQZHXJHFSA-N
MW446.62 g/mol
LogP5.09
Rot. Bonds4

About 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine

8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 1440275) has the molecular formula C26H30N4OS and a molecular weight of 446.62 g/mol. Its IUPAC name is 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound Name8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID1440275
Molecular FormulaC26H30N4OS
Molecular Weight446.62 g/mol
Exact Mass446.21
IUPAC Name8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCc1cccc(/N=C2\Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1
InChIInChI=1S/C26H30N4OS/c1-18-5-4-6-23(15-18)27-26-30(10-9-29-11-13-31-14-12-29)17-22-16-21-8-7-19(2)20(3)24(21)28-25(22)32-26/h4-8,15-16H,9-14,17H2,1-3H3/b27-26-
InChIKeyFRJAILGXXXSCHA-RQZHXJHFSA-N
XLogP5.09
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.62
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 1440275) is 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is Cc1cccc(/N=C2\Sc3nc4c(C)c(C)ccc4cc3CN2CCN2CCOCC2)c1.
What is the InChIKey of 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is FRJAILGXXXSCHA-RQZHXJHFSA-N. The full InChI is InChI=1S/C26H30N4OS/c1-18-5-4-6-23(15-18)27-26-30(10-9-29-11-13-31-14-12-29)17-22-16-21-8-7-19(2)20(3)24(21)28-25(22)32-26/h4-8,15-16H,9-14,17H2,1-3H3/b27-26-.
What are the key properties of 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 446.62 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-N-(3-methylphenyl)-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 1440275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).