[4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium

C11H9N4O2Tl — CID 143417350

IUPAC[4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium
SMILESO=C1COc2cnccc2N1Cc1cn([Tl])cn1
InChIInChI=1S/C11H9N4O2.Tl/c16-11-6-17-10-4-12-2-1-9(10)15(11)5-8-3-13-7-14-8;/h1-4,7H,5-6H2;/q-1;+1
InChIKeyKRSCAFYEQBAGRU-UHFFFAOYSA-N
MW433.60 g/mol
LogP0.14
Rot. Bonds2

About [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium

[4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium (PubChem CID 143417350) has the molecular formula C11H9N4O2Tl and a molecular weight of 433.60 g/mol. Its IUPAC name is [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium.

Molecular Properties

Compound Name[4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium
PubChem CID143417350
Molecular FormulaC11H9N4O2Tl
Molecular Weight433.60 g/mol
Exact Mass434.05
IUPAC Name[4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium
SMILESO=C1COc2cnccc2N1Cc1cn([Tl])cn1
InChIInChI=1S/C11H9N4O2.Tl/c16-11-6-17-10-4-12-2-1-9(10)15(11)5-8-3-13-7-14-8;/h1-4,7H,5-6H2;/q-1;+1
InChIKeyKRSCAFYEQBAGRU-UHFFFAOYSA-N
XLogP0.14
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium with MolForge

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Related Compounds

1-(1H-indol-6-yl)-3-[3-oxo-4-(pyrazin-2-ylmethyl)-1,4-benzoxazin-7-yl]urea
CID 156827981
4-[(4-amino-2-pyridinyl)methyl]-6-bromo-1,4-benzoxazin-3-one
CID 79251552
6-amino-4-(pyridin-2-ylmethyl)-1,4-benzoxazin-3-one
CID 14423588
4-[3-(3-oxo-1,4-benzoxazin-4-yl)propylamino]pyridine-3-carboxamide
CID 133454985
4-[[3-(aminomethyl)phenyl]methyl]-1,4-benzoxazin-3-one
CID 18071020
4-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]-1,4-benzoxazin-3-one
CID 134045157
N-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 166358849
7-amino-4-[(6-methyl-2-pyridinyl)methyl]-1,4-benzoxazin-3-one
CID 79267257
7-methyl-4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,4-benzoxazin-3-one
CID 53101071
N'-[2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)acetyl]pyridine-3-carbohydrazide
CID 39039312
N-[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]-2-phenylacetamide
CID 6488709
N-(2-imidazol-1-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 51072501

Frequently Asked Questions

What is the IUPAC name of [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium?
The IUPAC name of [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium (CID 143417350) is [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium.
What is the SMILES notation for [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium?
The canonical SMILES for [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium is O=C1COc2cnccc2N1Cc1cn([Tl])cn1.
What is the InChIKey of [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium?
The InChIKey is KRSCAFYEQBAGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N4O2.Tl/c16-11-6-17-10-4-12-2-1-9(10)15(11)5-8-3-13-7-14-8;/h1-4,7H,5-6H2;/q-1;+1.
What are the key properties of [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium?
[4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium has a molecular weight of 433.60 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-oxopyrido[3,4-b][1,4]oxazin-1-yl)methyl]imidazol-1-yl]thallium is sourced from PubChem (CID 143417350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).