CID 90056266

C22H21N5O4 — CID 90056266

IUPAC—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(C#N)nc3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)16-7-14(5-6-17(16)31-20)26-18(28)13-3-4-15(8-23)25-9-13/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeySUUKQBCWYIWXEK-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.93
Rot. Bonds2

About CID 90056266

CID 90056266 (PubChem CID 90056266) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol.

Molecular Properties

Compound NameCID 90056266
PubChem CID90056266
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name—
SMILESCC1(C)Oc2ccc(NC(=O)c3ccc(C#N)nc3)cc2C2(COC(N)=N2)C12COC2
InChIInChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)16-7-14(5-6-17(16)31-20)26-18(28)13-3-4-15(8-23)25-9-13/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeySUUKQBCWYIWXEK-UHFFFAOYSA-N
XLogP1.93
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90056266?
The IUPAC name of CID 90056266 (CID 90056266) is not available.
What is the SMILES notation for CID 90056266?
The canonical SMILES for CID 90056266 is CC1(C)Oc2ccc(NC(=O)c3ccc(C#N)nc3)cc2C2(COC(N)=N2)C12COC2.
What is the InChIKey of CID 90056266?
The InChIKey is SUUKQBCWYIWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-20(2)21(10-29-11-21)22(12-30-19(24)27-22)16-7-14(5-6-17(16)31-20)26-18(28)13-3-4-15(8-23)25-9-13/h3-7,9H,10-12H2,1-2H3,(H2,24,27)(H,26,28).
What are the key properties of CID 90056266?
CID 90056266 has a molecular weight of 419.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90056266 is sourced from PubChem (CID 90056266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).