6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C23H22N4O2 — CID 666384

IUPAC6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2ccccc2C)cc1
InChIInChI=1S/C23H22N4O2/c1-14-5-3-4-6-18(14)22-21-19(26-23-24-13-25-27(22)23)11-16(12-20(21)28)15-7-9-17(29-2)10-8-15/h3-10,13,16,22H,11-12H2,1-2H3,(H,24,25,26)
InChIKeyUQYVXKHOXAEXQJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.01
Rot. Bonds3

About 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 666384) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID666384
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2ccccc2C)cc1
InChIInChI=1S/C23H22N4O2/c1-14-5-3-4-6-18(14)22-21-19(26-23-24-13-25-27(22)23)11-16(12-20(21)28)15-7-9-17(29-2)10-8-15/h3-10,13,16,22H,11-12H2,1-2H3,(H,24,25,26)
InChIKeyUQYVXKHOXAEXQJ-UHFFFAOYSA-N
XLogP4.01
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 666384) is 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is COc1ccc(C2CC(=O)C3=C(C2)Nc2ncnn2C3c2ccccc2C)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is UQYVXKHOXAEXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-14-5-3-4-6-18(14)22-21-19(26-23-24-13-25-27(22)23)11-16(12-20(21)28)15-7-9-17(29-2)10-8-15/h3-10,13,16,22H,11-12H2,1-2H3,(H,24,25,26).
What are the key properties of 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 386.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-9-(2-methylphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 666384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).