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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Related Compounds

2-(4-chloro-8-fluoroquinazolin-2-yl)acetic acid
CID 84800593
2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
2-(aminomethyl)-8-fluoroquinoline-4-carboxylic acid
CID 84623455
2-[3-amino-6-(2,3-difluorophenyl)-2-pyridinyl]acetic acid
CID 133086696
2-amino-4-(hydroxymethyl)quinazolin-8-ol
CID 141051209
2-(7-fluoro-2-methylindazol-3-yl)acetic acid
CID 84722582
2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122445004
1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one
CID 157295338
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
2-(2,6-diamino-5-chloropyrimidin-4-yl)acetic acid
CID 83869056

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).