CID 58197268

C22H22N4O — CID 58197268

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCCC1
InChIInChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25)
InChIKeyGEDCABMRPNCGFN-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.69
Rot. Bonds1

About CID 58197268

CID 58197268 (PubChem CID 58197268) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol.

Molecular Properties

Compound NameCID 58197268
PubChem CID58197268
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCCC1
InChIInChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25)
InChIKeyGEDCABMRPNCGFN-UHFFFAOYSA-N
XLogP3.69
TPSA74.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze CID 58197268 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 58197268?
The IUPAC name of CID 58197268 (CID 58197268) is not available.
What is the SMILES notation for CID 58197268?
The canonical SMILES for CID 58197268 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCCC1.
What is the InChIKey of CID 58197268?
The InChIKey is GEDCABMRPNCGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-26-20(24)25-22(27-26)19-12-17(16-6-4-5-15(11-16)14-23)7-8-18(19)13-21(22)9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,24,25).
What are the key properties of CID 58197268?
CID 58197268 has a molecular weight of 358.45 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58197268 is sourced from PubChem (CID 58197268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).