CID 146681754

C20H18N4+ — CID 146681754

IUPAC—
SMILESc1ccc(/N=C2\NN(c3ccccc3)C[N+]2c2ccccc2)cc1
InChIInChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/q+1
InChIKeyKTIJZDWVSPAXNJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.13
Rot. Bonds3

About CID 146681754

CID 146681754 (PubChem CID 146681754) has the molecular formula C20H18N4+ and a molecular weight of 314.39 g/mol.

Molecular Properties

Compound NameCID 146681754
PubChem CID146681754
Molecular FormulaC20H18N4+
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name—
SMILESc1ccc(/N=C2\NN(c3ccccc3)C[N+]2c2ccccc2)cc1
InChIInChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/q+1
InChIKeyKTIJZDWVSPAXNJ-UHFFFAOYSA-N
XLogP4.13
TPSA33.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 146681754?
The IUPAC name of CID 146681754 (CID 146681754) is not available.
What is the SMILES notation for CID 146681754?
The canonical SMILES for CID 146681754 is c1ccc(/N=C2\NN(c3ccccc3)C[N+]2c2ccccc2)cc1.
What is the InChIKey of CID 146681754?
The InChIKey is KTIJZDWVSPAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-15H,16H2,(H,21,22)/q+1.
What are the key properties of CID 146681754?
CID 146681754 has a molecular weight of 314.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146681754 is sourced from PubChem (CID 146681754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).