2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid

C16H11FN2O3 — CID 134322867

IUPAC2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1cc(Cn2cnc(=O)c3ccccc32)ccc1F
InChIInChI=1S/C16H11FN2O3/c17-13-6-5-10(7-12(13)16(21)22)8-19-9-18-15(20)11-3-1-2-4-14(11)19/h1-7,9H,8H2,(H,21,22)
InChIKeyRZWSUKMSHMVMRG-UHFFFAOYSA-N
MW298.27 g/mol
LogP2.28
Rot. Bonds3

About 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid

2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid (PubChem CID 134322867) has the molecular formula C16H11FN2O3 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid
PubChem CID134322867
Molecular FormulaC16H11FN2O3
Molecular Weight298.27 g/mol
Exact Mass298.08
IUPAC Name2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid
SMILESO=C(O)c1cc(Cn2cnc(=O)c3ccccc32)ccc1F
InChIInChI=1S/C16H11FN2O3/c17-13-6-5-10(7-12(13)16(21)22)8-19-9-18-15(20)11-3-1-2-4-14(11)19/h1-7,9H,8H2,(H,21,22)
InChIKeyRZWSUKMSHMVMRG-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-5-[(4-methyl-6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 114012243
2-fluoro-5-[(4-oxocinnolin-1-yl)methyl]benzoic acid
CID 87361175
5-[(4,5-dimethylimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 107880972
5-(1,3-dihydroisoindol-2-ylmethyl)-2-fluorobenzoic acid
CID 107880673
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-fluorobenzoic acid
CID 107880971
2-fluoro-5-[(4-oxo-1-pyridinyl)methyl]benzoic acid
CID 107880974
1-(4-aminobutyl)quinazolin-4-one
CID 82512666
2-fluoro-5-[(8-hydroxy-4-oxocinnolin-1-yl)methyl]benzoic acid
CID 86657096
1-[(2,5-difluorophenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771887
1-[(3,4-difluorophenyl)methyl]benzimidazole-4-carboxamide
CID 142567283
2-(1-benzylbenzimidazol-5-yl)oxy-5-chlorobenzoic acid
CID 118358443
5-[(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 172632809

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid (CID 134322867) is 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid is O=C(O)c1cc(Cn2cnc(=O)c3ccccc32)ccc1F.
What is the InChIKey of 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid?
The InChIKey is RZWSUKMSHMVMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2O3/c17-13-6-5-10(7-12(13)16(21)22)8-19-9-18-15(20)11-3-1-2-4-14(11)19/h1-7,9H,8H2,(H,21,22).
What are the key properties of 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid?
2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid has a molecular weight of 298.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-oxoquinazolin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 134322867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).