1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine

C10H9ClFN3 — CID 105483432

IUPAC1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine
SMILESCC(N)c1nc(Cl)nc2cc(F)ccc12
InChIInChI=1S/C10H9ClFN3/c1-5(13)9-7-3-2-6(12)4-8(7)14-10(11)15-9/h2-5H,13H2,1H3
InChIKeyNIQSXIVAWVFAPV-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.44
Rot. Bonds1

About 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine

1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine (PubChem CID 105483432) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine
PubChem CID105483432
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine
SMILESCC(N)c1nc(Cl)nc2cc(F)ccc12
InChIInChI=1S/C10H9ClFN3/c1-5(13)9-7-3-2-6(12)4-8(7)14-10(11)15-9/h2-5H,13H2,1H3
InChIKeyNIQSXIVAWVFAPV-UHFFFAOYSA-N
XLogP2.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine?
The IUPAC name of 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine (CID 105483432) is 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine.
What is the SMILES notation for 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine?
The canonical SMILES for 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine is CC(N)c1nc(Cl)nc2cc(F)ccc12.
What is the InChIKey of 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine?
The InChIKey is NIQSXIVAWVFAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-5(13)9-7-3-2-6(12)4-8(7)14-10(11)15-9/h2-5H,13H2,1H3.
What are the key properties of 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine?
1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine has a molecular weight of 225.65 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-7-fluoroquinazolin-4-yl)ethanamine is sourced from PubChem (CID 105483432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).