9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide

C15H13FN2O3 — CID 175771035

IUPAC9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide
SMILESNC(=O)c1cn2c(c(-c3ccc(F)cc3)c1=O)COCC2
InChIInChI=1S/C15H13FN2O3/c16-10-3-1-9(2-4-10)13-12-8-21-6-5-18(12)7-11(14(13)19)15(17)20/h1-4,7H,5-6,8H2,(H2,17,20)
InChIKeyLCUMARARIYWMIK-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.28
Rot. Bonds2

About 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide

9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide (PubChem CID 175771035) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide.

Molecular Properties

Compound Name9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide
PubChem CID175771035
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide
SMILESNC(=O)c1cn2c(c(-c3ccc(F)cc3)c1=O)COCC2
InChIInChI=1S/C15H13FN2O3/c16-10-3-1-9(2-4-10)13-12-8-21-6-5-18(12)7-11(14(13)19)15(17)20/h1-4,7H,5-6,8H2,(H2,17,20)
InChIKeyLCUMARARIYWMIK-UHFFFAOYSA-N
XLogP1.28
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide?
The IUPAC name of 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide (CID 175771035) is 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide.
What is the SMILES notation for 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide?
The canonical SMILES for 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide is NC(=O)c1cn2c(c(-c3ccc(F)cc3)c1=O)COCC2.
What is the InChIKey of 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide?
The InChIKey is LCUMARARIYWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c16-10-3-1-9(2-4-10)13-12-8-21-6-5-18(12)7-11(14(13)19)15(17)20/h1-4,7H,5-6,8H2,(H2,17,20).
What are the key properties of 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide?
9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-8-oxo-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazine-7-carboxamide is sourced from PubChem (CID 175771035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).