3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C25H20FN5O2 — CID 50757550

IUPAC3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCC(CNC(=O)c1ccc2c(=O)nc3c(-c4cccc(F)c4)n[nH]n3c2c1)c1ccccc1
InChIInChI=1S/C25H20FN5O2/c1-15(16-6-3-2-4-7-16)14-27-24(32)18-10-11-20-21(13-18)31-23(28-25(20)33)22(29-30-31)17-8-5-9-19(26)12-17/h2-13,15,30H,14H2,1H3,(H,27,32)
InChIKeyCSIVEERHKBFUQL-UHFFFAOYSA-N
MW441.47 g/mol
LogP3.91
Rot. Bonds5

About 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide

3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 50757550) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID50757550
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC Name3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCC(CNC(=O)c1ccc2c(=O)nc3c(-c4cccc(F)c4)n[nH]n3c2c1)c1ccccc1
InChIInChI=1S/C25H20FN5O2/c1-15(16-6-3-2-4-7-16)14-27-24(32)18-10-11-20-21(13-18)31-23(28-25(20)33)22(29-30-31)17-8-5-9-19(26)12-17/h2-13,15,30H,14H2,1H3,(H,27,32)
InChIKeyCSIVEERHKBFUQL-UHFFFAOYSA-N
XLogP3.91
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 50757550) is 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide is CC(CNC(=O)c1ccc2c(=O)nc3c(-c4cccc(F)c4)n[nH]n3c2c1)c1ccccc1.
What is the InChIKey of 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is CSIVEERHKBFUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-15(16-6-3-2-4-7-16)14-27-24(32)18-10-11-20-21(13-18)31-23(28-25(20)33)22(29-30-31)17-8-5-9-19(26)12-17/h2-13,15,30H,14H2,1H3,(H,27,32).
What are the key properties of 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50757550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).