3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione

C10H10FN3O2 — CID 117263314

IUPAC3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
SMILESNCCn1c(=O)[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C10H10FN3O2/c11-7-3-1-2-6-8(7)13-10(16)14(5-4-12)9(6)15/h1-3H,4-5,12H2,(H,13,16)
InChIKeyJBVGSDHJHAPJDQ-UHFFFAOYSA-N
MW223.21 g/mol
LogP-0.21
Rot. Bonds2

About 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione

3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione (PubChem CID 117263314) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
PubChem CID117263314
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione
SMILESNCCn1c(=O)[nH]c2c(F)cccc2c1=O
InChIInChI=1S/C10H10FN3O2/c11-7-3-1-2-6-8(7)13-10(16)14(5-4-12)9(6)15/h1-3H,4-5,12H2,(H,13,16)
InChIKeyJBVGSDHJHAPJDQ-UHFFFAOYSA-N
XLogP-0.21
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione (CID 117263314) is 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione is NCCn1c(=O)[nH]c2c(F)cccc2c1=O.
What is the InChIKey of 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is JBVGSDHJHAPJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-7-3-1-2-6-8(7)13-10(16)14(5-4-12)9(6)15/h1-3H,4-5,12H2,(H,13,16).
What are the key properties of 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione?
3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 223.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-8-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117263314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).