3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione

C14H9FN2O3 — CID 134137365

IUPAC3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
SMILESO=c1oc2cccnc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O3/c15-10-5-3-9(4-6-10)8-17-13(18)12-11(20-14(17)19)2-1-7-16-12/h1-7H,8H2
InChIKeyMVJQLMTYKVOPJM-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.54
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione

3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione (PubChem CID 134137365) has the molecular formula C14H9FN2O3 and a molecular weight of 272.24 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
PubChem CID134137365
Molecular FormulaC14H9FN2O3
Molecular Weight272.24 g/mol
Exact Mass272.06
IUPAC Name3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione
SMILESO=c1oc2cccnc2c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C14H9FN2O3/c15-10-5-3-9(4-6-10)8-17-13(18)12-11(20-14(17)19)2-1-7-16-12/h1-7H,8H2
InChIKeyMVJQLMTYKVOPJM-UHFFFAOYSA-N
XLogP1.54
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Fluorophenoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 1478735
(3-ethoxy-6-methylpyridin-2-yl)((2S,3R)-2-methyl-3-((5-(trifluoromethyl)pyridin-2-yl)oxy)piperidin-1-yl)methanone
CID 117630025
4H-Pyrano(3,2-b)pyridin-4-one, 2-phenyl-
CID 3047503
3-(3-Pyridinyloxy)-5-(trifluoromethyl)-2-pyridinecarboxamide
CID 1478747
8-(2-Fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
CID 134809913
8-(3-Fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
CID 134809924
8-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)pyrano[2,3-c]pyridin-4-one
CID 134810479
N-butyl-N-[(4-fluorophenyl)methyl]-3-hydroxypyridine-2-carboxamide
CID 74538907
N-[(4-fluorophenyl)methyl]-3-methoxy-pyridine-2-carboxamide
CID 74539910
N-[(4-fluorophenyl)methyl]-3-hydroxy-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 74539913
4H-Pyrano(3,2-b)pyridin-4-one, 2-(4-fluorophenyl)-
CID 3073319
4H-Pyrano(3,2-b)pyridin-4-one, 2-(3-pyridinyl)-
CID 3073326

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione (CID 134137365) is 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione is O=c1oc2cccnc2c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
The InChIKey is MVJQLMTYKVOPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O3/c15-10-5-3-9(4-6-10)8-17-13(18)12-11(20-14(17)19)2-1-7-16-12/h1-7H,8H2.
What are the key properties of 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione?
3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione has a molecular weight of 272.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]pyrido[2,3-e][1,3]oxazine-2,4-dione is sourced from PubChem (CID 134137365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).