6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione

C20H22N2O3S — CID 3576556

IUPAC6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1
InChIInChI=1S/C20H22N2O3S/c1-20(2)10-14-17(15(23)11-20)18(12-4-6-13(25-3)7-5-12)22-16(24)8-9-26-19(22)21-14/h4-7,18H,8-11H2,1-3H3
InChIKeyLQSATMTZKLMQQT-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.71
Rot. Bonds2

About 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione

6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione (PubChem CID 3576556) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
PubChem CID3576556
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC Name6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1
InChIInChI=1S/C20H22N2O3S/c1-20(2)10-14-17(15(23)11-20)18(12-4-6-13(25-3)7-5-12)22-16(24)8-9-26-19(22)21-14/h4-7,18H,8-11H2,1-3H3
InChIKeyLQSATMTZKLMQQT-UHFFFAOYSA-N
XLogP3.71
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The IUPAC name of 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione (CID 3576556) is 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione.
What is the SMILES notation for 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The canonical SMILES for 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3SCCC(=O)N32)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
The InChIKey is LQSATMTZKLMQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-20(2)10-14-17(15(23)11-20)18(12-4-6-13(25-3)7-5-12)22-16(24)8-9-26-19(22)21-14/h4-7,18H,8-11H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione?
6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione has a molecular weight of 370.47 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-9,9-dimethyl-3,6,8,10-tetrahydro-2H-[1,3]thiazino[2,3-b]quinazoline-4,7-dione is sourced from PubChem (CID 3576556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).