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

C31H28F2N4O8 — CID 159107540

IUPAC5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate
SMILESCN1CCOc2c1cc(C(=O)O)c(=O)n2-c1ccc(F)cc1.COC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)OCCN2C
InChIInChI=1S/C16H15FN2O4.C15H13FN2O4/c1-18-7-8-23-15-13(18)9-12(16(21)22-2)14(20)19(15)11-5-3-10(17)4-6-11;1-17-6-7-22-14-12(17)8-11(15(20)21)13(19)18(14)10-4-2-9(16)3-5-10/h3-6,9H,7-8H2,1-2H3;2-5,8H,6-7H2,1H3,(H,20,21)
InChIKeyKEBRBQSCARRQTB-UHFFFAOYSA-N
MW622.58 g/mol
LogP3.10
Rot. Bonds4

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

5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate (PubChem CID 159107540) has the molecular formula C31H28F2N4O8 and a molecular weight of 622.58 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate
PubChem CID159107540
Molecular FormulaC31H28F2N4O8
Molecular Weight622.58 g/mol
Exact Mass622.19
IUPAC Name5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate
SMILESCN1CCOc2c1cc(C(=O)O)c(=O)n2-c1ccc(F)cc1.COC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)OCCN2C
InChIInChI=1S/C16H15FN2O4.C15H13FN2O4/c1-18-7-8-23-15-13(18)9-12(16(21)22-2)14(20)19(15)11-5-3-10(17)4-6-11;1-17-6-7-22-14-12(17)8-11(15(20)21)13(19)18(14)10-4-2-9(16)3-5-10/h3-6,9H,7-8H2,1-2H3;2-5,8H,6-7H2,1H3,(H,20,21)
InChIKeyKEBRBQSCARRQTB-UHFFFAOYSA-N
XLogP3.10
TPSA132.54 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.58
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate with MolForge

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Related Compounds

5-(4-fluorophenyl)-1,2-dimethyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid
CID 90283696
methyl 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 102252856
methyl 6-chloro-4-methyl-2,3-dihydro-1,4-benzoxazine-8-carboxylate
CID 10681590
ethoxyethane;1-(4-fluorophenyl)-6-oxo-3-propan-2-ylpyridine-2,5-dicarboxylic acid
CID 146424705
1-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxylic acid
CID 71668941
2-ethoxy-4-(4-fluorophenyl)-5-oxo-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 141307427
3-(4-fluorophenyl)-1-(1-methylazetidin-3-yl)-2,4-dioxopyrimidine-5-carboxylic acid
CID 146425707
6-cyclopropyl-1-(4-fluorophenyl)-2-oxopyridine-3-carboxylic acid
CID 151618895
methyl 4-methyl-2,3-dihydro-1,4-benzoxazine-5-carboxylate
CID 14373655
methyl 2-[3-(4-fluorophenyl)-2,4,5-trioxoimidazolidin-1-yl]benzoate
CID 11371270
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
methyl 8-[(4-fluorophenyl)methyl]-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-6-carboxylate
CID 134306960

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate?
The IUPAC name of 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate (CID 159107540) is 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate.
What is the SMILES notation for 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate?
The canonical SMILES for 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate is CN1CCOc2c1cc(C(=O)O)c(=O)n2-c1ccc(F)cc1.COC(=O)c1cc2c(n(-c3ccc(F)cc3)c1=O)OCCN2C.
What is the InChIKey of 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate?
The InChIKey is KEBRBQSCARRQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4.C15H13FN2O4/c1-18-7-8-23-15-13(18)9-12(16(21)22-2)14(20)19(15)11-5-3-10(17)4-6-11;1-17-6-7-22-14-12(17)8-11(15(20)21)13(19)18(14)10-4-2-9(16)3-5-10/h3-6,9H,7-8H2,1-2H3;2-5,8H,6-7H2,1H3,(H,20,21).
What are the key properties of 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate?
5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate has a molecular weight of 622.58 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylic acid;methyl 5-(4-fluorophenyl)-1-methyl-6-oxo-2,3-dihydropyrido[2,3-b][1,4]oxazine-7-carboxylate is sourced from PubChem (CID 159107540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).