2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C24H23ClN4O2 — CID 135670490

IUPAC2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21
InChIInChI=1S/C24H23ClN4O2/c1-24(2)12-17-20(18(30)13-24)21(16-9-4-5-10-19(16)31-3)29-23(26-17)27-22(28-29)14-7-6-8-15(25)11-14/h4-11,21H,12-13H2,1-3H3,(H,26,27,28)
InChIKeyRPFCIOZSOQYZED-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.27
Rot. Bonds3

About 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one

2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 135670490) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID135670490
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21
InChIInChI=1S/C24H23ClN4O2/c1-24(2)12-17-20(18(30)13-24)21(16-9-4-5-10-19(16)31-3)29-23(26-17)27-22(28-29)14-7-6-8-15(25)11-14/h4-11,21H,12-13H2,1-3H3,(H,26,27,28)
InChIKeyRPFCIOZSOQYZED-UHFFFAOYSA-N
XLogP5.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 135670490) is 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one is COc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nc(-c3cccc(Cl)c3)nn21.
What is the InChIKey of 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is RPFCIOZSOQYZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-24(2)12-17-20(18(30)13-24)21(16-9-4-5-10-19(16)31-3)29-23(26-17)27-22(28-29)14-7-6-8-15(25)11-14/h4-11,21H,12-13H2,1-3H3,(H,26,27,28).
What are the key properties of 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 434.93 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-9-(2-methoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 135670490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).