2-(7-fluoroquinazolin-4-yl)acetic acid

C10H7FN2O2 — CID 105458358

IUPAC2-(7-fluoroquinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1ncnc2cc(F)ccc12
InChIInChI=1S/C10H7FN2O2/c11-6-1-2-7-8(3-6)12-5-13-9(7)4-10(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyPDSWDDDHCLXRRF-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.40
Rot. Bonds2

About 2-(7-fluoroquinazolin-4-yl)acetic acid

2-(7-fluoroquinazolin-4-yl)acetic acid (PubChem CID 105458358) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 2-(7-fluoroquinazolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(7-fluoroquinazolin-4-yl)acetic acid
PubChem CID105458358
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name2-(7-fluoroquinazolin-4-yl)acetic acid
SMILESO=C(O)Cc1ncnc2cc(F)ccc12
InChIInChI=1S/C10H7FN2O2/c11-6-1-2-7-8(3-6)12-5-13-9(7)4-10(14)15/h1-3,5H,4H2,(H,14,15)
InChIKeyPDSWDDDHCLXRRF-UHFFFAOYSA-N
XLogP1.40
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(7-fluoroquinazolin-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(7-methoxyquinazolin-4-yl)acetic acid
CID 105471989
2-[(7-fluoroquinolin-4-yl)amino]acetic acid
CID 83837512
2-(7-fluoroquinolin-4-yl)sulfanylacetic acid
CID 54773018
7-fluoroquinoline-4-carboxylic acid
CID 18475507
3-(7-fluoro-4-oxoquinazolin-3-yl)propanoic acid
CID 112707958
2-[3-amino-5-(4-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314255
2-[5-(4-fluorophenyl)-3-methyl-2-pyridinyl]acetic acid
CID 46314279
2-(7-fluoroquinazolin-4-yl)phenol
CID 174770521
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-[4-fluoro-2-(fluoromethyl)phenyl]acetic acid
CID 141066600
2-[2-(3-amino-3-oxoprop-1-enyl)-5-fluorophenyl]acetic acid
CID 169482218
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoroquinazolin-4-yl)acetic acid?
The IUPAC name of 2-(7-fluoroquinazolin-4-yl)acetic acid (CID 105458358) is 2-(7-fluoroquinazolin-4-yl)acetic acid.
What is the SMILES notation for 2-(7-fluoroquinazolin-4-yl)acetic acid?
The canonical SMILES for 2-(7-fluoroquinazolin-4-yl)acetic acid is O=C(O)Cc1ncnc2cc(F)ccc12.
What is the InChIKey of 2-(7-fluoroquinazolin-4-yl)acetic acid?
The InChIKey is PDSWDDDHCLXRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-6-1-2-7-8(3-6)12-5-13-9(7)4-10(14)15/h1-3,5H,4H2,(H,14,15).
What are the key properties of 2-(7-fluoroquinazolin-4-yl)acetic acid?
2-(7-fluoroquinazolin-4-yl)acetic acid has a molecular weight of 206.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoroquinazolin-4-yl)acetic acid is sourced from PubChem (CID 105458358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).