7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one

C17H19N3O2S — CID 143362238

IUPAC7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(C3=CSC/C(=N\C(C)C)N3)[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-10(2)18-17-9-23-8-15(20-17)14-7-16(21)12-5-4-11(22-3)6-13(12)19-14/h4-8,10H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyCARJJCXWDDOEFB-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.98
Rot. Bonds3

About 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one

7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one (PubChem CID 143362238) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one.

Molecular Properties

Compound Name7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one
PubChem CID143362238
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)cc(C3=CSC/C(=N\C(C)C)N3)[nH]c2c1
InChIInChI=1S/C17H19N3O2S/c1-10(2)18-17-9-23-8-15(20-17)14-7-16(21)12-5-4-11(22-3)6-13(12)19-14/h4-8,10H,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyCARJJCXWDDOEFB-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one?
The IUPAC name of 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one (CID 143362238) is 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one.
What is the SMILES notation for 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one?
The canonical SMILES for 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one is COc1ccc2c(=O)cc(C3=CSC/C(=N\C(C)C)N3)[nH]c2c1.
What is the InChIKey of 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one?
The InChIKey is CARJJCXWDDOEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(2)18-17-9-23-8-15(20-17)14-7-16(21)12-5-4-11(22-3)6-13(12)19-14/h4-8,10H,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one?
7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one has a molecular weight of 329.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(5-propan-2-ylimino-4H-1,4-thiazin-3-yl)-1H-quinolin-4-one is sourced from PubChem (CID 143362238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).