2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one

C24H19FN4O3 — CID 53093409

IUPAC2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cc(OC)cc(-c2nc3c4ccccc4n(Cc4ccc(F)cc4)c(=O)n3n2)c1
InChIInChI=1S/C24H19FN4O3/c1-31-18-11-16(12-19(13-18)32-2)22-26-23-20-5-3-4-6-21(20)28(24(30)29(23)27-22)14-15-7-9-17(25)10-8-15/h3-13H,14H2,1-2H3
InChIKeyQNFNSJYIECSYHX-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.92
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one

2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one (PubChem CID 53093409) has the molecular formula C24H19FN4O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
PubChem CID53093409
Molecular FormulaC24H19FN4O3
Molecular Weight430.44 g/mol
Exact Mass430.14
IUPAC Name2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one
SMILESCOc1cc(OC)cc(-c2nc3c4ccccc4n(Cc4ccc(F)cc4)c(=O)n3n2)c1
InChIInChI=1S/C24H19FN4O3/c1-31-18-11-16(12-19(13-18)32-2)22-26-23-20-5-3-4-6-21(20)28(24(30)29(23)27-22)14-15-7-9-17(25)10-8-15/h3-13H,14H2,1-2H3
InChIKeyQNFNSJYIECSYHX-UHFFFAOYSA-N
XLogP3.92
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one (CID 53093409) is 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one is COc1cc(OC)cc(-c2nc3c4ccccc4n(Cc4ccc(F)cc4)c(=O)n3n2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
The InChIKey is QNFNSJYIECSYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O3/c1-31-18-11-16(12-19(13-18)32-2)22-26-23-20-5-3-4-6-21(20)28(24(30)29(23)27-22)14-15-7-9-17(25)10-8-15/h3-13H,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one?
2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one has a molecular weight of 430.44 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-one is sourced from PubChem (CID 53093409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).