3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid

C8H6N2O4 — CID 22036235

IUPAC3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)C1Oc2cccnc2NC1=O
InChIInChI=1S/C8H6N2O4/c11-7-5(8(12)13)14-4-2-1-3-9-6(4)10-7/h1-3,5H,(H,12,13)(H,9,10,11)
InChIKeyKWOTYHZJWRBURR-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.13
Rot. Bonds1

About 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid

3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid (PubChem CID 22036235) has the molecular formula C8H6N2O4 and a molecular weight of 194.15 g/mol. Its IUPAC name is 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid.

Molecular Properties

Compound Name3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
PubChem CID22036235
Molecular FormulaC8H6N2O4
Molecular Weight194.15 g/mol
Exact Mass194.03
IUPAC Name3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid
SMILESO=C(O)C1Oc2cccnc2NC1=O
InChIInChI=1S/C8H6N2O4/c11-7-5(8(12)13)14-4-2-1-3-9-6(4)10-7/h1-3,5H,(H,12,13)(H,9,10,11)
InChIKeyKWOTYHZJWRBURR-UHFFFAOYSA-N
XLogP-0.13
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990407
2-iodo-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 91884397
2-ethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 13087443
3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)oxetane-3-carboxylic acid
CID 116990440
2-(2-aminoethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990341
2-(2-chloroethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 3644169
2-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)propanenitrile
CID 116990406
2-morpholin-2-yl-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990411
2-(3-amino-3-methylbutyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 116990354
ethyl 3-sulfanylidene-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylate
CID 101201111
3-methyl-2-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-2-yl)butanenitrile
CID 116990454
2-(2-morpholin-4-ylethyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 2766172

Frequently Asked Questions

What is the IUPAC name of 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
The IUPAC name of 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid (CID 22036235) is 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid.
What is the SMILES notation for 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
The canonical SMILES for 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid is O=C(O)C1Oc2cccnc2NC1=O.
What is the InChIKey of 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
The InChIKey is KWOTYHZJWRBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O4/c11-7-5(8(12)13)14-4-2-1-3-9-6(4)10-7/h1-3,5H,(H,12,13)(H,9,10,11).
What are the key properties of 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid?
3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid has a molecular weight of 194.15 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylic acid is sourced from PubChem (CID 22036235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).