CID 90055966

C22H22N4O3 — CID 90055966

IUPAC—
SMILESCC1(C)Oc2ccc(-c3ccc4[nH]ncc4c3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C22H22N4O3/c1-20(2)21(10-27-11-21)22(12-28-19(23)25-22)16-8-14(4-6-18(16)29-20)13-3-5-17-15(7-13)9-24-26-17/h3-9H,10-12H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyWSZIQFROVOJHOO-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.96
Rot. Bonds1

About CID 90055966

CID 90055966 (PubChem CID 90055966) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol.

Molecular Properties

Compound NameCID 90055966
PubChem CID90055966
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name—
SMILESCC1(C)Oc2ccc(-c3ccc4[nH]ncc4c3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C22H22N4O3/c1-20(2)21(10-27-11-21)22(12-28-19(23)25-22)16-8-14(4-6-18(16)29-20)13-3-5-17-15(7-13)9-24-26-17/h3-9H,10-12H2,1-2H3,(H2,23,25)(H,24,26)
InChIKeyWSZIQFROVOJHOO-UHFFFAOYSA-N
XLogP2.96
TPSA94.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 90055966?
The IUPAC name of CID 90055966 (CID 90055966) is not available.
What is the SMILES notation for CID 90055966?
The canonical SMILES for CID 90055966 is CC1(C)Oc2ccc(-c3ccc4[nH]ncc4c3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 90055966?
The InChIKey is WSZIQFROVOJHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-20(2)21(10-27-11-21)22(12-28-19(23)25-22)16-8-14(4-6-18(16)29-20)13-3-5-17-15(7-13)9-24-26-17/h3-9H,10-12H2,1-2H3,(H2,23,25)(H,24,26).
What are the key properties of CID 90055966?
CID 90055966 has a molecular weight of 390.44 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90055966 is sourced from PubChem (CID 90055966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).