CID 59873065

C18H17N4O2 — CID 59873065

IUPAC—
SMILESN#CC1C(=O)[N]C(=O)C(C#N)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C18H17N4O2/c19-10-14-16(23)21-17(24)15(11-20)18(14)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,14-15H,6-9,12H2
InChIKeyWGAQNZOMPUKLQB-UHFFFAOYSA-N
MW321.36 g/mol
LogP1.22
Rot. Bonds2

About CID 59873065

CID 59873065 (PubChem CID 59873065) has the molecular formula C18H17N4O2 and a molecular weight of 321.36 g/mol.

Molecular Properties

Compound NameCID 59873065
PubChem CID59873065
Molecular FormulaC18H17N4O2
Molecular Weight321.36 g/mol
Exact Mass321.14
IUPAC Name—
SMILESN#CC1C(=O)[N]C(=O)C(C#N)C12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C18H17N4O2/c19-10-14-16(23)21-17(24)15(11-20)18(14)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,14-15H,6-9,12H2
InChIKeyWGAQNZOMPUKLQB-UHFFFAOYSA-N
XLogP1.22
TPSA99.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 59873065?
The IUPAC name of CID 59873065 (CID 59873065) is not available.
What is the SMILES notation for CID 59873065?
The canonical SMILES for CID 59873065 is N#CC1C(=O)[N]C(=O)C(C#N)C12CCN(Cc1ccccc1)CC2.
What is the InChIKey of CID 59873065?
The InChIKey is WGAQNZOMPUKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N4O2/c19-10-14-16(23)21-17(24)15(11-20)18(14)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,14-15H,6-9,12H2.
What are the key properties of CID 59873065?
CID 59873065 has a molecular weight of 321.36 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59873065 is sourced from PubChem (CID 59873065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).