CID 46927167

C22H22N4O2 — CID 46927167

IUPAC—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCOCC1
InChIInChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25)
InChIKeyGHBGKKVPFJLMRC-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.92
Rot. Bonds1

About CID 46927167

CID 46927167 (PubChem CID 46927167) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol.

Molecular Properties

Compound NameCID 46927167
PubChem CID46927167
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name—
SMILESCN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCOCC1
InChIInChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25)
InChIKeyGHBGKKVPFJLMRC-UHFFFAOYSA-N
XLogP2.92
TPSA83.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 46927167?
The IUPAC name of CID 46927167 (CID 46927167) is not available.
What is the SMILES notation for CID 46927167?
The canonical SMILES for CID 46927167 is CN1OC2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCOCC1.
What is the InChIKey of CID 46927167?
The InChIKey is GHBGKKVPFJLMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26-20(24)25-22(28-26)19-12-17(16-4-2-3-15(11-16)14-23)5-6-18(19)13-21(22)7-9-27-10-8-21/h2-6,11-12H,7-10,13H2,1H3,(H2,24,25).
What are the key properties of CID 46927167?
CID 46927167 has a molecular weight of 374.44 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46927167 is sourced from PubChem (CID 46927167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).