2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid

C10H8FN3O2 — CID 105476978

IUPAC2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
SMILESNc1nc(CC(=O)O)c2cccc(F)c2n1
InChIInChI=1S/C10H8FN3O2/c11-6-3-1-2-5-7(4-8(15)16)13-10(12)14-9(5)6/h1-3H,4H2,(H,15,16)(H2,12,13,14)
InChIKeyUJUCSMYFIQVCQU-UHFFFAOYSA-N
MW221.19 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid

2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid (PubChem CID 105476978) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
PubChem CID105476978
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
SMILESNc1nc(CC(=O)O)c2cccc(F)c2n1
InChIInChI=1S/C10H8FN3O2/c11-6-3-1-2-5-7(4-8(15)16)13-10(12)14-9(5)6/h1-3H,4H2,(H,15,16)(H2,12,13,14)
InChIKeyUJUCSMYFIQVCQU-UHFFFAOYSA-N
XLogP0.98
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid (CID 105476978) is 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid is Nc1nc(CC(=O)O)c2cccc(F)c2n1.
What is the InChIKey of 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid?
The InChIKey is UJUCSMYFIQVCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-3-1-2-5-7(4-8(15)16)13-10(12)14-9(5)6/h1-3H,4H2,(H,15,16)(H2,12,13,14).
What are the key properties of 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid?
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid has a molecular weight of 221.19 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid is sourced from PubChem (CID 105476978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).