3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid

C15H9FN2O3 — CID 168553324

IUPAC3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H9FN2O3/c16-10-6-3-5-9(15(20)21)12(10)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyWKFBQEYCPLRNLL-UHFFFAOYSA-N
MW284.25 g/mol
LogP2.43
Rot. Bonds2

About 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid

3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid (PubChem CID 168553324) has the molecular formula C15H9FN2O3 and a molecular weight of 284.25 g/mol. Its IUPAC name is 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
PubChem CID168553324
Molecular FormulaC15H9FN2O3
Molecular Weight284.25 g/mol
Exact Mass284.06
IUPAC Name3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H9FN2O3/c16-10-6-3-5-9(15(20)21)12(10)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7H,(H,20,21)(H,17,18,19)
InChIKeyWKFBQEYCPLRNLL-UHFFFAOYSA-N
XLogP2.43
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(4-oxo-3H-quinazolin-2-yl)benzoic acid
CID 162513899
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-[3,6-difluoro-2-(trifluoromethoxy)phenyl]-3H-quinazolin-4-one
CID 168552915
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-[2-bromo-6-fluoro-3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552940
2-[2-hydroxy-6-(methylamino)phenyl]-3H-quinazolin-4-one
CID 168552978
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-(3-chloro-2-fluorophenyl)-3H-quinazolin-4-one
CID 168511648
2-(2,4-difluoro-6-nitrophenyl)-3H-quinazolin-4-one
CID 168553326
1-(4-oxo-3H-quinazolin-2-yl)ethyl 2-fluorobenzoate
CID 135906623

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid (CID 168553324) is 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid is O=C(O)c1cccc(F)c1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
The InChIKey is WKFBQEYCPLRNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O3/c16-10-6-3-5-9(15(20)21)12(10)13-17-11-7-2-1-4-8(11)14(19)18-13/h1-7H,(H,20,21)(H,17,18,19).
What are the key properties of 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid?
3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid has a molecular weight of 284.25 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-oxo-3H-quinazolin-2-yl)benzoic acid is sourced from PubChem (CID 168553324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).