3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one

C13H13FN4O2 — CID 72849237

IUPAC3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNc1ncnc2cc(F)ccc12
InChIInChI=1S/C13H13FN4O2/c14-9-1-2-10-11(7-9)16-8-17-12(10)15-3-4-18-5-6-20-13(18)19/h1-2,7-8H,3-6H2,(H,15,16,17)
InChIKeyFERGFLLIMUWNSV-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.63
Rot. Bonds4

About 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one

3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 72849237) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
PubChem CID72849237
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CCNc1ncnc2cc(F)ccc12
InChIInChI=1S/C13H13FN4O2/c14-9-1-2-10-11(7-9)16-8-17-12(10)15-3-4-18-5-6-20-13(18)19/h1-2,7-8H,3-6H2,(H,15,16,17)
InChIKeyFERGFLLIMUWNSV-UHFFFAOYSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one (CID 72849237) is 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one is O=C1OCCN1CCNc1ncnc2cc(F)ccc12.
What is the InChIKey of 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
The InChIKey is FERGFLLIMUWNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-9-1-2-10-11(7-9)16-8-17-12(10)15-3-4-18-5-6-20-13(18)19/h1-2,7-8H,3-6H2,(H,15,16,17).
What are the key properties of 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one?
3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 276.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(7-fluoroquinazolin-4-yl)amino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72849237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).