6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione

C23H17FN4O2 — CID 141334416

IUPAC6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
SMILESCc1ccc(-n2nc3c4ccccc4n(Cc4cccc(F)c4)c(=O)n3c2=O)cc1
InChIInChI=1S/C23H17FN4O2/c1-15-9-11-18(12-10-15)28-23(30)27-21(25-28)19-7-2-3-8-20(19)26(22(27)29)14-16-5-4-6-17(24)13-16/h2-13H,14H2,1H3
InChIKeyQFLGOCWWRLFHJN-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.30
Rot. Bonds3

About 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione

6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione (PubChem CID 141334416) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione.

Molecular Properties

Compound Name6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
PubChem CID141334416
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione
SMILESCc1ccc(-n2nc3c4ccccc4n(Cc4cccc(F)c4)c(=O)n3c2=O)cc1
InChIInChI=1S/C23H17FN4O2/c1-15-9-11-18(12-10-15)28-23(30)27-21(25-28)19-7-2-3-8-20(19)26(22(27)29)14-16-5-4-6-17(24)13-16/h2-13H,14H2,1H3
InChIKeyQFLGOCWWRLFHJN-UHFFFAOYSA-N
XLogP3.30
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione with MolForge

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Related Compounds

N-(3-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 42835939
N-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004863
5-benzyl-10-fluorobenzimidazolo[1,2-c]quinazolin-6-one
CID 164677881
2-[4-[1-[(3-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]-N-methylacetamide
CID 50763161
7-[(3-fluorophenyl)methyl]-3-(4-methylphenyl)-1-(2-methylpropyl)purine-2,6-dione
CID 46047518
N-benzyl-2-(4-fluorophenyl)-4-[(3-fluorophenyl)methyl]-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 46004098
4-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)-1-sulfanylidene-[1,3]thiazolo[3,4-a]quinazolin-5-one
CID 22588351
3-(3,4-dichlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17159912
5-benzyl-2-(4-fluorophenyl)pyridazino[4,3-b]indol-3-one
CID 564081
3-(3-chlorophenyl)-1-[(4-methylphenyl)methyl]quinazoline-2,4-dione
CID 17147921
3-(3,4-dimethylphenyl)-1-[(3-methylphenyl)methyl]quinazoline-2,4-dione
CID 95922194
5-[(3-fluorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]pyrimido[5,4-b]indol-4-one
CID 53026380

Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
The IUPAC name of 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione (CID 141334416) is 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione.
What is the SMILES notation for 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
The canonical SMILES for 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione is Cc1ccc(-n2nc3c4ccccc4n(Cc4cccc(F)c4)c(=O)n3c2=O)cc1.
What is the InChIKey of 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
The InChIKey is QFLGOCWWRLFHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-15-9-11-18(12-10-15)28-23(30)27-21(25-28)19-7-2-3-8-20(19)26(22(27)29)14-16-5-4-6-17(24)13-16/h2-13H,14H2,1H3.
What are the key properties of 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione?
6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione has a molecular weight of 400.41 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazoline-3,5-dione is sourced from PubChem (CID 141334416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).