CID 158092696

C22H24N4O4 — CID 158092696

IUPAC—
SMILESCc1ccc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)nn1
InChIInChI=1S/C22H24N4O4/c1-13-4-6-16(26-25-13)17(27)9-14-5-7-18-15(8-14)22(12-29-19(23)24-22)21(10-28-11-21)20(2,3)30-18/h4-8H,9-12H2,1-3H3,(H2,23,24)
InChIKeyFOHKDAUYGVBMAB-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.94
Rot. Bonds3

About CID 158092696

CID 158092696 (PubChem CID 158092696) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol.

Molecular Properties

Compound NameCID 158092696
PubChem CID158092696
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name—
SMILESCc1ccc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)nn1
InChIInChI=1S/C22H24N4O4/c1-13-4-6-16(26-25-13)17(27)9-14-5-7-18-15(8-14)22(12-29-19(23)24-22)21(10-28-11-21)20(2,3)30-18/h4-8H,9-12H2,1-3H3,(H2,23,24)
InChIKeyFOHKDAUYGVBMAB-UHFFFAOYSA-N
XLogP1.94
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of CID 158092696?
The IUPAC name of CID 158092696 (CID 158092696) is not available.
What is the SMILES notation for CID 158092696?
The canonical SMILES for CID 158092696 is Cc1ccc(C(=O)Cc2ccc3c(c2)C2(COC(N)=N2)C2(COC2)C(C)(C)O3)nn1.
What is the InChIKey of CID 158092696?
The InChIKey is FOHKDAUYGVBMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-4-6-16(26-25-13)17(27)9-14-5-7-18-15(8-14)22(12-29-19(23)24-22)21(10-28-11-21)20(2,3)30-18/h4-8H,9-12H2,1-3H3,(H2,23,24).
What are the key properties of CID 158092696?
CID 158092696 has a molecular weight of 408.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158092696 is sourced from PubChem (CID 158092696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).