6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C18H13FN4O2 — CID 5309170

IUPAC6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1
InChIInChI=1S/C18H13FN4O2/c1-11-20-17-14-4-2-3-5-15(14)22(18(25)23(17)21-11)10-16(24)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKeyHUGIZPPBNQJACS-UHFFFAOYSA-N
MW336.33 g/mol
LogP2.37
Rot. Bonds3

About 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one

6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 5309170) has the molecular formula C18H13FN4O2 and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID5309170
Molecular FormulaC18H13FN4O2
Molecular Weight336.33 g/mol
Exact Mass336.10
IUPAC Name6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1
InChIInChI=1S/C18H13FN4O2/c1-11-20-17-14-4-2-3-5-15(14)22(18(25)23(17)21-11)10-16(24)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3
InChIKeyHUGIZPPBNQJACS-UHFFFAOYSA-N
XLogP2.37
TPSA69.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 5309170) is 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is Cc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is HUGIZPPBNQJACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2/c1-11-20-17-14-4-2-3-5-15(14)22(18(25)23(17)21-11)10-16(24)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 336.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-2-oxoethyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 5309170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).