4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid

C12H11N3O4 — CID 11492638

IUPAC4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
SMILESCN1CCOc2cc3c(=O)c(C(=O)O)c[nH]c3nc21
InChIInChI=1S/C12H11N3O4/c1-15-2-3-19-8-4-6-9(16)7(12(17)18)5-13-10(6)14-11(8)15/h4-5H,2-3H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyMNGAJWBJIAMXDW-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.45
Rot. Bonds1

About 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid

4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid (PubChem CID 11492638) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
PubChem CID11492638
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid
SMILESCN1CCOc2cc3c(=O)c(C(=O)O)c[nH]c3nc21
InChIInChI=1S/C12H11N3O4/c1-15-2-3-19-8-4-6-9(16)7(12(17)18)5-13-10(6)14-11(8)15/h4-5H,2-3H2,1H3,(H,17,18)(H,13,14,16)
InChIKeyMNGAJWBJIAMXDW-UHFFFAOYSA-N
XLogP0.45
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The IUPAC name of 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid (CID 11492638) is 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The canonical SMILES for 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid is CN1CCOc2cc3c(=O)c(C(=O)O)c[nH]c3nc21.
What is the InChIKey of 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
The InChIKey is MNGAJWBJIAMXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c1-15-2-3-19-8-4-6-9(16)7(12(17)18)5-13-10(6)14-11(8)15/h4-5H,2-3H2,1H3,(H,17,18)(H,13,14,16).
What are the key properties of 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid?
4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-oxo-3,6-dihydro-2H-[1,4]oxazino[3,2-b][1,8]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 11492638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).