5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine

C16H15FN4O — CID 11529516

IUPAC5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
SMILESCC(Oc1cccc2nc(N)nc(N)c12)c1cccc(F)c1
InChIInChI=1S/C16H15FN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyKMLKOKGGFHWWED-UHFFFAOYSA-N
MW298.32 g/mol
LogP3.07
Rot. Bonds3

About 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine

5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine (PubChem CID 11529516) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
PubChem CID11529516
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine
SMILESCC(Oc1cccc2nc(N)nc(N)c12)c1cccc(F)c1
InChIInChI=1S/C16H15FN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)
InChIKeyKMLKOKGGFHWWED-UHFFFAOYSA-N
XLogP3.07
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine (CID 11529516) is 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine is CC(Oc1cccc2nc(N)nc(N)c12)c1cccc(F)c1.
What is the InChIKey of 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine?
The InChIKey is KMLKOKGGFHWWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21).
What are the key properties of 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine?
5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine has a molecular weight of 298.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluorophenyl)ethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 11529516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).