5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid

C16H15FN2O4 — CID 90283696

IUPAC5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid
SMILESCC1COc2c(cc(C(=O)O)c(=O)n2-c2ccc(F)cc2)N1C
InChIInChI=1S/C16H15FN2O4/c1-9-8-23-15-13(18(9)2)7-12(16(21)22)14(20)19(15)11-5-3-10(17)4-6-11/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyIBNVOGBPCOIMMN-UHFFFAOYSA-N
MW318.30 g/mol
LogP1.89
Rot. Bonds2

About 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid

5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid (PubChem CID 90283696) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid
PubChem CID90283696
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid
SMILESCC1COc2c(cc(C(=O)O)c(=O)n2-c2ccc(F)cc2)N1C
InChIInChI=1S/C16H15FN2O4/c1-9-8-23-15-13(18(9)2)7-12(16(21)22)14(20)19(15)11-5-3-10(17)4-6-11/h3-7,9H,8H2,1-2H3,(H,21,22)
InChIKeyIBNVOGBPCOIMMN-UHFFFAOYSA-N
XLogP1.89
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid (CID 90283696) is 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid is CC1COc2c(cc(C(=O)O)c(=O)n2-c2ccc(F)cc2)N1C.
What is the InChIKey of 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid?
The InChIKey is IBNVOGBPCOIMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c1-9-8-23-15-13(18(9)2)7-12(16(21)22)14(20)19(15)11-5-3-10(17)4-6-11/h3-7,9H,8H2,1-2H3,(H,21,22).
What are the key properties of 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid?
5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid has a molecular weight of 318.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid is sourced from PubChem (CID 90283696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).