2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine

C19H16N2OS — CID 14316854

IUPAC2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine
SMILESCOc1ccc(-c2cc(C)c3c(n2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H16N2OS/c1-12-11-16(13-7-9-14(22-2)10-8-13)21-19-18(12)23-17-6-4-3-5-15(17)20-19/h3-11H,1-2H3,(H,20,21)
InChIKeyRWVKBEZFIRLMLM-UHFFFAOYSA-N
MW320.42 g/mol
LogP5.27
Rot. Bonds2

About 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine

2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine (PubChem CID 14316854) has the molecular formula C19H16N2OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine
PubChem CID14316854
Molecular FormulaC19H16N2OS
Molecular Weight320.42 g/mol
Exact Mass320.10
IUPAC Name2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine
SMILESCOc1ccc(-c2cc(C)c3c(n2)Nc2ccccc2S3)cc1
InChIInChI=1S/C19H16N2OS/c1-12-11-16(13-7-9-14(22-2)10-8-13)21-19-18(12)23-17-6-4-3-5-15(17)20-19/h3-11H,1-2H3,(H,20,21)
InChIKeyRWVKBEZFIRLMLM-UHFFFAOYSA-N
XLogP5.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.42
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine?
The IUPAC name of 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine (CID 14316854) is 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine is COc1ccc(-c2cc(C)c3c(n2)Nc2ccccc2S3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine?
The InChIKey is RWVKBEZFIRLMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OS/c1-12-11-16(13-7-9-14(22-2)10-8-13)21-19-18(12)23-17-6-4-3-5-15(17)20-19/h3-11H,1-2H3,(H,20,21).
What are the key properties of 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine?
2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine has a molecular weight of 320.42 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-methyl-10H-pyrido[3,2-b][1,4]benzothiazine is sourced from PubChem (CID 14316854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).