4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine

C16H15FN4 — CID 65337213

IUPAC4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
SMILESCC(Nc1ncnc2cc(N)ccc12)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4/c1-10(11-2-4-12(17)5-3-11)21-16-14-7-6-13(18)8-15(14)19-9-20-16/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyXQIPDDUYVLZQMH-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.52
Rot. Bonds3

About 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine

4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine (PubChem CID 65337213) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine.

Molecular Properties

Compound Name4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
PubChem CID65337213
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine
SMILESCC(Nc1ncnc2cc(N)ccc12)c1ccc(F)cc1
InChIInChI=1S/C16H15FN4/c1-10(11-2-4-12(17)5-3-11)21-16-14-7-6-13(18)8-15(14)19-9-20-16/h2-10H,18H2,1H3,(H,19,20,21)
InChIKeyXQIPDDUYVLZQMH-UHFFFAOYSA-N
XLogP3.52
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine?
The IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine (CID 65337213) is 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine.
What is the SMILES notation for 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine?
The canonical SMILES for 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine is CC(Nc1ncnc2cc(N)ccc12)c1ccc(F)cc1.
What is the InChIKey of 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine?
The InChIKey is XQIPDDUYVLZQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-10(11-2-4-12(17)5-3-11)21-16-14-7-6-13(18)8-15(14)19-9-20-16/h2-10H,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine?
4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine has a molecular weight of 282.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-fluorophenyl)ethyl]quinazoline-4,7-diamine is sourced from PubChem (CID 65337213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).