CID 122186286

C25H19N3O3 — CID 122186286

IUPAC—
SMILESO=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccccc1)CN[C@]21C(=O)Nc2ccccc21
InChIInChI=1S/C25H19N3O3/c29-22-24(18-13-7-8-14-20(18)27-22)25(19(15-26-24)16-9-3-1-4-10-16)23(30)31-21(28-25)17-11-5-2-6-12-17/h1-14,19,26H,15H2,(H,27,29)/t19-,24+,25-/m0/s1
InChIKeyLBAAIRHEEARFNN-OWAUWMPXSA-N
MW409.45 g/mol
LogP2.96
Rot. Bonds2

About CID 122186286

CID 122186286 (PubChem CID 122186286) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol.

Molecular Properties

Compound NameCID 122186286
PubChem CID122186286
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name—
SMILESO=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccccc1)CN[C@]21C(=O)Nc2ccccc21
InChIInChI=1S/C25H19N3O3/c29-22-24(18-13-7-8-14-20(18)27-22)25(19(15-26-24)16-9-3-1-4-10-16)23(30)31-21(28-25)17-11-5-2-6-12-17/h1-14,19,26H,15H2,(H,27,29)/t19-,24+,25-/m0/s1
InChIKeyLBAAIRHEEARFNN-OWAUWMPXSA-N
XLogP2.96
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 122186286?
The IUPAC name of CID 122186286 (CID 122186286) is not available.
What is the SMILES notation for CID 122186286?
The canonical SMILES for CID 122186286 is O=C1OC(c2ccccc2)=N[C@@]12[C@H](c1ccccc1)CN[C@]21C(=O)Nc2ccccc21.
What is the InChIKey of CID 122186286?
The InChIKey is LBAAIRHEEARFNN-OWAUWMPXSA-N. The full InChI is InChI=1S/C25H19N3O3/c29-22-24(18-13-7-8-14-20(18)27-22)25(19(15-26-24)16-9-3-1-4-10-16)23(30)31-21(28-25)17-11-5-2-6-12-17/h1-14,19,26H,15H2,(H,27,29)/t19-,24+,25-/m0/s1.
What are the key properties of CID 122186286?
CID 122186286 has a molecular weight of 409.45 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122186286 is sourced from PubChem (CID 122186286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).