3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid

C15H17FN2O3 — CID 158737305

IUPAC3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid
SMILESCCc1nc2c(F)cc(CC(C)(C)C(=O)O)cc2c(=O)[nH]1
InChIInChI=1S/C15H17FN2O3/c1-4-11-17-12-9(13(19)18-11)5-8(6-10(12)16)7-15(2,3)14(20)21/h5-6H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyPRSIZPASQQZDJN-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.28
Rot. Bonds4

About 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid

3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid (PubChem CID 158737305) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid
PubChem CID158737305
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid
SMILESCCc1nc2c(F)cc(CC(C)(C)C(=O)O)cc2c(=O)[nH]1
InChIInChI=1S/C15H17FN2O3/c1-4-11-17-12-9(13(19)18-11)5-8(6-10(12)16)7-15(2,3)14(20)21/h5-6H,4,7H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyPRSIZPASQQZDJN-UHFFFAOYSA-N
XLogP2.28
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid (CID 158737305) is 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid is CCc1nc2c(F)cc(CC(C)(C)C(=O)O)cc2c(=O)[nH]1.
What is the InChIKey of 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid?
The InChIKey is PRSIZPASQQZDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-4-11-17-12-9(13(19)18-11)5-8(6-10(12)16)7-15(2,3)14(20)21/h5-6H,4,7H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid?
3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-8-fluoro-4-oxo-3H-quinazolin-6-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 158737305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).