3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid

C16H9FN4O3 — CID 50743179

IUPAC3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)nc3c(-c4ccccc4F)n[nH]n3c2c1
InChIInChI=1S/C16H9FN4O3/c17-11-4-2-1-3-9(11)13-14-18-15(22)10-6-5-8(16(23)24)7-12(10)21(14)20-19-13/h1-7,20H,(H,23,24)
InChIKeyQBTCUNSRCFZLSB-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.08
Rot. Bonds2

About 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid

3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid (PubChem CID 50743179) has the molecular formula C16H9FN4O3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid
PubChem CID50743179
Molecular FormulaC16H9FN4O3
Molecular Weight324.27 g/mol
Exact Mass324.07
IUPAC Name3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)nc3c(-c4ccccc4F)n[nH]n3c2c1
InChIInChI=1S/C16H9FN4O3/c17-11-4-2-1-3-9(11)13-14-18-15(22)10-6-5-8(16(23)24)7-12(10)21(14)20-19-13/h1-7,20H,(H,23,24)
InChIKeyQBTCUNSRCFZLSB-UHFFFAOYSA-N
XLogP2.08
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-fluorophenyl)-8-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-triazolo[1,5-a]quinazolin-5-one
CID 45498849
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757504
N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757461
3-(4-fluorophenyl)-N-(3-methylbutyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757500
3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757550
3-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 45498832
N-(1,3-benzodioxol-5-ylmethyl)-5-oxo-3-phenyl-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757545
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792
2,6-bis(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313699
2-amino-3-(2-fluorophenyl)quinoline-7-carboxylic acid
CID 122688052
3-fluoro-4-(1H-indazol-3-yl)benzoic acid
CID 118285872
2-[2-(2-fluorophenyl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 56873737

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid (CID 50743179) is 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid is O=C(O)c1ccc2c(=O)nc3c(-c4ccccc4F)n[nH]n3c2c1.
What is the InChIKey of 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid?
The InChIKey is QBTCUNSRCFZLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O3/c17-11-4-2-1-3-9(11)13-14-18-15(22)10-6-5-8(16(23)24)7-12(10)21(14)20-19-13/h1-7,20H,(H,23,24).
What are the key properties of 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid?
3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid has a molecular weight of 324.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxylic acid is sourced from PubChem (CID 50743179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).