3-fluoro-4-oxoquinazoline-2-carboxylic acid

C9H5FN2O3 — CID 174525480

IUPAC3-fluoro-4-oxoquinazoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2c(=O)n1F
InChIInChI=1S/C9H5FN2O3/c10-12-7(9(14)15)11-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,14,15)
InChIKeyDJUXHRZPVAGMMT-UHFFFAOYSA-N
MW208.15 g/mol
LogP0.83
Rot. Bonds1

About 3-fluoro-4-oxoquinazoline-2-carboxylic acid

3-fluoro-4-oxoquinazoline-2-carboxylic acid (PubChem CID 174525480) has the molecular formula C9H5FN2O3 and a molecular weight of 208.15 g/mol. Its IUPAC name is 3-fluoro-4-oxoquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-oxoquinazoline-2-carboxylic acid
PubChem CID174525480
Molecular FormulaC9H5FN2O3
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Name3-fluoro-4-oxoquinazoline-2-carboxylic acid
SMILESO=C(O)c1nc2ccccc2c(=O)n1F
InChIInChI=1S/C9H5FN2O3/c10-12-7(9(14)15)11-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,14,15)
InChIKeyDJUXHRZPVAGMMT-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[(3-methoxyphenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 141129820
3-fluoro-2-(1,2,4-triazol-1-yl)quinazolin-4-one
CID 141078933
CID 131876705
CID 131876705
7-hydroxy-3-methyl-4-oxoquinazoline-2-carboxylic acid
CID 84787286
3-fluoro-2-(2-methyl-4-pyridinyl)quinazolin-4-one
CID 151433841
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
2-[(2-methyl-4-oxoquinazolin-3-yl)amino]benzoic acid
CID 849797
N-(2-hydroxyethyl)-3-methyl-4-oxoquinazoline-2-carboxamide
CID 39377679
N-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 807598
2-methyl-3-(2-methylbenzoyl)quinazolin-4-one
CID 69343372
3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one
CID 23799960
6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-oxoquinazoline-2-carboxylic acid?
The IUPAC name of 3-fluoro-4-oxoquinazoline-2-carboxylic acid (CID 174525480) is 3-fluoro-4-oxoquinazoline-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-oxoquinazoline-2-carboxylic acid?
The canonical SMILES for 3-fluoro-4-oxoquinazoline-2-carboxylic acid is O=C(O)c1nc2ccccc2c(=O)n1F.
What is the InChIKey of 3-fluoro-4-oxoquinazoline-2-carboxylic acid?
The InChIKey is DJUXHRZPVAGMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FN2O3/c10-12-7(9(14)15)11-6-4-2-1-3-5(6)8(12)13/h1-4H,(H,14,15).
What are the key properties of 3-fluoro-4-oxoquinazoline-2-carboxylic acid?
3-fluoro-4-oxoquinazoline-2-carboxylic acid has a molecular weight of 208.15 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-oxoquinazoline-2-carboxylic acid is sourced from PubChem (CID 174525480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).