4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one

C10H10FN3O — CID 105459967

IUPAC4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one
SMILESNCCc1[nH]c(=O)nc2cc(F)ccc12
InChIInChI=1S/C10H10FN3O/c11-6-1-2-7-8(3-4-12)13-10(15)14-9(7)5-6/h1-2,5H,3-4,12H2,(H,13,14,15)
InChIKeySQWIBFFOHIWHOM-UHFFFAOYSA-N
MW207.21 g/mol
LogP0.56
Rot. Bonds2

About 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one

4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one (PubChem CID 105459967) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one
PubChem CID105459967
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one
SMILESNCCc1[nH]c(=O)nc2cc(F)ccc12
InChIInChI=1S/C10H10FN3O/c11-6-1-2-7-8(3-4-12)13-10(15)14-9(7)5-6/h1-2,5H,3-4,12H2,(H,13,14,15)
InChIKeySQWIBFFOHIWHOM-UHFFFAOYSA-N
XLogP0.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one (CID 105459967) is 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one is NCCc1[nH]c(=O)nc2cc(F)ccc12.
What is the InChIKey of 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one?
The InChIKey is SQWIBFFOHIWHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-6-1-2-7-8(3-4-12)13-10(15)14-9(7)5-6/h1-2,5H,3-4,12H2,(H,13,14,15).
What are the key properties of 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one?
4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one has a molecular weight of 207.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-7-fluoro-3H-quinazolin-2-one is sourced from PubChem (CID 105459967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).