5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione

C13H15FN2O2 — CID 89271716

IUPAC5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione
SMILESC=C1C=C(CC)c2c([nH]c(=O)n(CCF)c2=O)C1
InChIInChI=1S/C13H15FN2O2/c1-3-9-6-8(2)7-10-11(9)12(17)16(5-4-14)13(18)15-10/h6H,2-5,7H2,1H3,(H,15,18)
InChIKeySVSKNHBCNRJHGD-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.41
Rot. Bonds3

About 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione

5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione (PubChem CID 89271716) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione
PubChem CID89271716
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione
SMILESC=C1C=C(CC)c2c([nH]c(=O)n(CCF)c2=O)C1
InChIInChI=1S/C13H15FN2O2/c1-3-9-6-8(2)7-10-11(9)12(17)16(5-4-14)13(18)15-10/h6H,2-5,7H2,1H3,(H,15,18)
InChIKeySVSKNHBCNRJHGD-UHFFFAOYSA-N
XLogP1.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione?
The IUPAC name of 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione (CID 89271716) is 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione.
What is the SMILES notation for 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione?
The canonical SMILES for 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione is C=C1C=C(CC)c2c([nH]c(=O)n(CCF)c2=O)C1.
What is the InChIKey of 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione?
The InChIKey is SVSKNHBCNRJHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-3-9-6-8(2)7-10-11(9)12(17)16(5-4-14)13(18)15-10/h6H,2-5,7H2,1H3,(H,15,18).
What are the key properties of 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione?
5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione has a molecular weight of 250.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-fluoroethyl)-7-methylidene-1,8-dihydroquinazoline-2,4-dione is sourced from PubChem (CID 89271716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).