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

C27H32N4O3S — CID 1440358

IUPACN-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOc1ccc(/N=C2\Sc3nc4c(C)ccc(C)c4cc3CN2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C27H32N4O3S/c1-18-5-6-19(2)25-22(18)15-20-17-31(10-9-30-11-13-34-14-12-30)27(35-26(20)29-25)28-23-8-7-21(32-3)16-24(23)33-4/h5-8,15-16H,9-14,17H2,1-4H3/b28-27-
InChIKeyCKMARRMNTQRKJR-DQSJHHFOSA-N
MW492.65 g/mol
LogP4.80
Rot. Bonds6

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

N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (PubChem CID 1440358) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
PubChem CID1440358
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine
SMILESCOc1ccc(/N=C2\Sc3nc4c(C)ccc(C)c4cc3CN2CCN2CCOCC2)c(OC)c1
InChIInChI=1S/C27H32N4O3S/c1-18-5-6-19(2)25-22(18)15-20-17-31(10-9-30-11-13-34-14-12-30)27(35-26(20)29-25)28-23-8-7-21(32-3)16-24(23)33-4/h5-8,15-16H,9-14,17H2,1-4H3/b28-27-
InChIKeyCKMARRMNTQRKJR-DQSJHHFOSA-N
XLogP4.80
TPSA59.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine (CID 1440358) is N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is COc1ccc(/N=C2\Sc3nc4c(C)ccc(C)c4cc3CN2CCN2CCOCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
The InChIKey is CKMARRMNTQRKJR-DQSJHHFOSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-18-5-6-19(2)25-22(18)15-20-17-31(10-9-30-11-13-34-14-12-30)27(35-26(20)29-25)28-23-8-7-21(32-3)16-24(23)33-4/h5-8,15-16H,9-14,17H2,1-4H3/b28-27-.
What are the key properties of N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine?
N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine has a molecular weight of 492.65 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6,9-dimethyl-3-(2-morpholin-4-ylethyl)-4H-[1,3]thiazino[6,5-b]quinolin-2-imine is sourced from PubChem (CID 1440358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).