CID 90056466

C21H20F2N2O3 — CID 90056466

IUPAC—
SMILESCC1(C)Oc2ccc(-c3cc(F)cc(F)c3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C21H20F2N2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25)
InChIKeyGXWZNDMKCKULNS-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.36
Rot. Bonds1

About CID 90056466

CID 90056466 (PubChem CID 90056466) has the molecular formula C21H20F2N2O3 and a molecular weight of 386.40 g/mol.

Molecular Properties

Compound NameCID 90056466
PubChem CID90056466
Molecular FormulaC21H20F2N2O3
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name—
SMILESCC1(C)Oc2ccc(-c3cc(F)cc(F)c3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C21H20F2N2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25)
InChIKeyGXWZNDMKCKULNS-UHFFFAOYSA-N
XLogP3.36
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 90056466 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 CID 90056466?
The IUPAC name of CID 90056466 (CID 90056466) is not available.
What is the SMILES notation for CID 90056466?
The canonical SMILES for CID 90056466 is CC1(C)Oc2ccc(-c3cc(F)cc(F)c3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 90056466?
The InChIKey is GXWZNDMKCKULNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O3/c1-19(2)20(9-26-10-20)21(11-27-18(24)25-21)16-7-12(3-4-17(16)28-19)13-5-14(22)8-15(23)6-13/h3-8H,9-11H2,1-2H3,(H2,24,25).
What are the key properties of CID 90056466?
CID 90056466 has a molecular weight of 386.40 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056466 is sourced from PubChem (CID 90056466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).