7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one

C15H7Cl2FN4O — CID 22424585

IUPAC7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one
SMILESO=c1nc2c(-c3c(F)cccc3Cl)n[nH]n2c2ccc(Cl)cc12
InChIInChI=1S/C15H7Cl2FN4O/c16-7-4-5-11-8(6-7)15(23)19-14-13(20-21-22(11)14)12-9(17)2-1-3-10(12)18/h1-6,21H
InChIKeyDFIVVVJSAWSWHF-UHFFFAOYSA-N
MW349.15 g/mol
LogP3.68
Rot. Bonds1

About 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one

7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one (PubChem CID 22424585) has the molecular formula C15H7Cl2FN4O and a molecular weight of 349.15 g/mol. Its IUPAC name is 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one
PubChem CID22424585
Molecular FormulaC15H7Cl2FN4O
Molecular Weight349.15 g/mol
Exact Mass348.00
IUPAC Name7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one
SMILESO=c1nc2c(-c3c(F)cccc3Cl)n[nH]n2c2ccc(Cl)cc12
InChIInChI=1S/C15H7Cl2FN4O/c16-7-4-5-11-8(6-7)15(23)19-14-13(20-21-22(11)14)12-9(17)2-1-3-10(12)18/h1-6,21H
InChIKeyDFIVVVJSAWSWHF-UHFFFAOYSA-N
XLogP3.68
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one (CID 22424585) is 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one is O=c1nc2c(-c3c(F)cccc3Cl)n[nH]n2c2ccc(Cl)cc12.
What is the InChIKey of 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one?
The InChIKey is DFIVVVJSAWSWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FN4O/c16-7-4-5-11-8(6-7)15(23)19-14-13(20-21-22(11)14)12-9(17)2-1-3-10(12)18/h1-6,21H.
What are the key properties of 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one?
7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one has a molecular weight of 349.15 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-chloro-6-fluorophenyl)-1H-triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 22424585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).