(6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid

C18H13FN4O3 — CID 98300944

About (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid

(6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid (PubChem CID 98300944) has the molecular formula C18H13FN4O3 and a molecular weight of 352.33 g/mol. Its IUPAC name is (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid.

Molecular Properties

• Compound Name: (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
• PubChem CID: 98300944
• Molecular Formula: C18H13FN4O3
• Molecular Weight: 352.33 g/mol
• Exact Mass: 352.10
• IUPAC Name: (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid
• SMILES: C[C@@]1(C(=O)O)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21
• InChI: InChI=1S/C18H13FN4O3/c1-18(17(25)26)21-13-5-3-2-4-12(13)15-20-16(24)14(22-23(15)18)10-6-8-11(19)9-7-10/h2-9,21H,1H3,(H,25,26)/t18-/m1/s1
• InChIKey: HBFIQUGMXPVEPU-GOSISDBHSA-N
• XLogP: 2.29
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.33
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?

The IUPAC name of (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid (CID 98300944) is (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid.

What is the SMILES notation for (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?

The canonical SMILES for (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid is C[C@@]1(C(=O)O)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21.

What is the InChIKey of (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?

The InChIKey is HBFIQUGMXPVEPU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H13FN4O3/c1-18(17(25)26)21-13-5-3-2-4-12(13)15-20-16(24)14(22-23(15)18)10-6-8-11(19)9-7-10/h2-9,21H,1H3,(H,25,26)/t18-/m1/s1.

What are the key properties of (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid?

(6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid has a molecular weight of 352.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-3-(4-fluorophenyl)-6-methyl-2-oxo-7H-[1,2,4]triazino[2,3-c]quinazoline-6-carboxylic acid is sourced from PubChem (CID 98300944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).