7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

C20H22N2O3 — CID 3332365

IUPAC7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=NN3C(C2)c2cccc(OC)c2OC3(C)C)cc1
InChIInChI=1S/C20H22N2O3/c1-20(2)22-17(15-6-5-7-18(24-4)19(15)25-20)12-16(21-22)13-8-10-14(23-3)11-9-13/h5-11,17H,12H2,1-4H3
InChIKeyRUWDQYTUJAQIOR-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.98
Rot. Bonds3

About 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (PubChem CID 3332365) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.

Molecular Properties

Compound Name7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
PubChem CID3332365
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
SMILESCOc1ccc(C2=NN3C(C2)c2cccc(OC)c2OC3(C)C)cc1
InChIInChI=1S/C20H22N2O3/c1-20(2)22-17(15-6-5-7-18(24-4)19(15)25-20)12-16(21-22)13-8-10-14(23-3)11-9-13/h5-11,17H,12H2,1-4H3
InChIKeyRUWDQYTUJAQIOR-UHFFFAOYSA-N
XLogP3.98
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine 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 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The IUPAC name of 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine (CID 3332365) is 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine.
What is the SMILES notation for 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The canonical SMILES for 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is COc1ccc(C2=NN3C(C2)c2cccc(OC)c2OC3(C)C)cc1.
What is the InChIKey of 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
The InChIKey is RUWDQYTUJAQIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2)22-17(15-6-5-7-18(24-4)19(15)25-20)12-16(21-22)13-8-10-14(23-3)11-9-13/h5-11,17H,12H2,1-4H3.
What are the key properties of 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine?
7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine has a molecular weight of 338.41 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(4-methoxyphenyl)-5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine is sourced from PubChem (CID 3332365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).