7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

C11H12FNO4 — CID 171788058

IUPAC7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
SMILESCOc1cc2c(c(C(=O)O)c1F)OCCN2C
InChIInChI=1S/C11H12FNO4/c1-13-3-4-17-10-6(13)5-7(16-2)9(12)8(10)11(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyOSQUDSWTLILAGM-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.36
Rot. Bonds2

About 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid

7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (PubChem CID 171788058) has the molecular formula C11H12FNO4 and a molecular weight of 241.22 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
PubChem CID171788058
Molecular FormulaC11H12FNO4
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
SMILESCOc1cc2c(c(C(=O)O)c1F)OCCN2C
InChIInChI=1S/C11H12FNO4/c1-13-3-4-17-10-6(13)5-7(16-2)9(12)8(10)11(14)15/h5H,3-4H2,1-2H3,(H,14,15)
InChIKeyOSQUDSWTLILAGM-UHFFFAOYSA-N
XLogP1.36
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid with MolForge

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Related Compounds

4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-carboxylic acid
CID 10655404
2-Methoxy-10H-phenoxazine-1-carboxylic acid
CID 44268061
6-Fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 10632286
4-Fluoro-2-methoxy-5-morpholin-4-yl-benzoic acid
CID 18468220
6-fluoro-2,2,4-trimethyl-3H-1,4-benzoxazine-8-carboxylic acid
CID 19780182
3-Morpholino-5-(trifluoromethoxy)benzoic Acid
CID 67454022
6-Methoxy-4-oxo-8-[4-(2,2,2-trifluoro-ethyl)-piperazin-1-yl]-4H-chromene-2-carboxylic acid
CID 68974350
6-Methoxy-4-oxo-8-[4-(2,2,2-trifluoro-ethyl)-piperazin-1-yl]-4H-chromene-2-carboxylic acid ethyl ester
CID 68974762
3-Fluoro-2-methoxy-5-morpholin-4-ylbenzoic acid
CID 69162759
4-[[2-[(2,4-Difluorophenyl)methoxy]phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444194
4-[[5-Fluoro-2-(2-methylpropoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444485
4-[(2-Cyclobutyloxy-5-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid
CID 89444541

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The IUPAC name of 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid (CID 171788058) is 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid.
What is the SMILES notation for 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The canonical SMILES for 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid is COc1cc2c(c(C(=O)O)c1F)OCCN2C.
What is the InChIKey of 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
The InChIKey is OSQUDSWTLILAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4/c1-13-3-4-17-10-6(13)5-7(16-2)9(12)8(10)11(14)15/h5H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid?
7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid has a molecular weight of 241.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylic acid is sourced from PubChem (CID 171788058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).