1H-pyrido[3,4-b][1,4]oxazin-2-one

C7H6N2O2 — CID 19031659

IUPAC1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESO=C1COc2cnccc2N1
InChIInChI=1S/C7H6N2O2/c10-7-4-11-6-3-8-2-1-5(6)9-7/h1-3H,4H2,(H,9,10)
InChIKeyVFLQBRXQPWSXGJ-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.41
Rot. Bonds

About 1H-pyrido[3,4-b][1,4]oxazin-2-one

1H-pyrido[3,4-b][1,4]oxazin-2-one (PubChem CID 19031659) has the molecular formula C7H6N2O2 and a molecular weight of 150.14 g/mol. Its IUPAC name is 1H-pyrido[3,4-b][1,4]oxazin-2-one.

Molecular Properties

Compound Name1H-pyrido[3,4-b][1,4]oxazin-2-one
PubChem CID19031659
Molecular FormulaC7H6N2O2
Molecular Weight150.14 g/mol
Exact Mass150.04
IUPAC Name1H-pyrido[3,4-b][1,4]oxazin-2-one
SMILESO=C1COc2cnccc2N1
InChIInChI=1S/C7H6N2O2/c10-7-4-11-6-3-8-2-1-5(6)9-7/h1-3H,4H2,(H,9,10)
InChIKeyVFLQBRXQPWSXGJ-UHFFFAOYSA-N
XLogP0.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2H-pyrido(3,2-b)-1,4-oxazin-3(4H)-one
CID 88499
2-(2-Methoxy-phenoxy)-N-pyridin-4-yl-acetamide
CID 748753
3-(3-Piperidinyloxy)pyridine
CID 9815392
2-phenoxy-N-(pyridin-4-yl)acetamide
CID 814784
2-Phenoxy-N-(3-pyridinyl)acetamide
CID 309156
3-Methoxy-4-aminopyridine
CID 3016738
2-(4-methoxyphenoxy)-N-(pyridin-4-yl)acetamide
CID 774453
2-[(2-phenoxyacetyl)amino]-N-pyridin-4-ylacetamide
CID 24686998
2-(4-anilinophenoxy)-N-pyridin-4-ylacetamide
CID 24982615
N-(Pyridin-4-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2877810
US10071974, Example 9
CID 121346609
1H,2H,3H-pyrido(2,3-b)(1,4)oxazin-2-one
CID 15925988

Frequently Asked Questions

What is the IUPAC name of 1H-pyrido[3,4-b][1,4]oxazin-2-one?
The IUPAC name of 1H-pyrido[3,4-b][1,4]oxazin-2-one (CID 19031659) is 1H-pyrido[3,4-b][1,4]oxazin-2-one.
What is the SMILES notation for 1H-pyrido[3,4-b][1,4]oxazin-2-one?
The canonical SMILES for 1H-pyrido[3,4-b][1,4]oxazin-2-one is O=C1COc2cnccc2N1.
What is the InChIKey of 1H-pyrido[3,4-b][1,4]oxazin-2-one?
The InChIKey is VFLQBRXQPWSXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O2/c10-7-4-11-6-3-8-2-1-5(6)9-7/h1-3H,4H2,(H,9,10).
What are the key properties of 1H-pyrido[3,4-b][1,4]oxazin-2-one?
1H-pyrido[3,4-b][1,4]oxazin-2-one has a molecular weight of 150.14 g/mol, XLogP of 0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrido[3,4-b][1,4]oxazin-2-one is sourced from PubChem (CID 19031659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).