1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

C16H8N2O5 — CID 4846

💊View drug profile → pirenoxine
IUPAC1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c3nc4ccccc4oc-3cc(=O)c2[nH]1
InChIInChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
InChIKeyOKPNYGAWTYOBFZ-UHFFFAOYSA-N
MW308.25 g/mol
LogP1.83
Rot. Bonds1

About 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid

1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid (PubChem CID 4846) has the molecular formula C16H8N2O5 and a molecular weight of 308.25 g/mol. Its IUPAC name is 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
PubChem CID4846
Molecular FormulaC16H8N2O5
Molecular Weight308.25 g/mol
Exact Mass308.04
IUPAC Name1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
SMILESO=C(O)c1cc(=O)c2c3nc4ccccc4oc-3cc(=O)c2[nH]1
InChIInChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22)
InChIKeyOKPNYGAWTYOBFZ-UHFFFAOYSA-N
XLogP1.83
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.25
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Pirenoxine sodium
CID 23695982
2-Amino-3-oxophenoxazine-1-carboxylic acid
CID 117846692
1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylate
CID 24868267
4-Amino-1,2-dimethylphenoxazin-3-one;2,2,2-trifluoroacetic acid
CID 162335816
8,10-dimethyl-1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid
CID 137286258
2-Hydroxy-3-(2-methoxyanilino)-6-(2-methoxyphenyl)imino-5-oxocyclohexa-1,3-diene-1-carboxylic acid
CID 137295551
2-Hydroxybenzo[5,6][1,4]oxazino[3,2-b]phenoxazin-3(5ah)-one
CID 164946403
methyl (Z)-2-(tert-butylamino)-3-(2-oxo-1,4-benzoxazin-3-yl)prop-2-enoate
CID 168350983
Methyl 2-amino-3-oxophenoxazine-1-carboxylate
CID 12588716
methyl 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylate
CID 15617541
3-Oxophenoxazine-2-carboxylic acid
CID 19009561
3-Oxophenoxazine-4-carboxylic acid
CID 19087958

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
The IUPAC name of 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid (CID 4846) is 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid.
What is the SMILES notation for 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
The canonical SMILES for 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid is O=C(O)c1cc(=O)c2c3nc4ccccc4oc-3cc(=O)c2[nH]1.
What is the InChIKey of 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
The InChIKey is OKPNYGAWTYOBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8N2O5/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12/h1-6H,(H,18,19)(H,21,22).
What are the key properties of 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid?
1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid has a molecular weight of 308.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxo-4H-pyrido[3,2-a]phenoxazine-3-carboxylic acid is sourced from PubChem (CID 4846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).