cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)

C19H16FeN2 — CID 172965129

IUPACcyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)
SMILESNc1nc2ccccc2cc1-[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H11N2.C5H5.Fe/c15-14-12(10-5-1-2-6-10)9-11-7-3-4-8-13(11)16-14;1-2-4-5-3-1;/h1-9H,(H2,15,16);1-5H;/q2*-1;+2
InChIKeyWKJPGTUERVUPCT-UHFFFAOYSA-N
MW328.20 g/mol
LogP4.61
Rot. Bonds1

About cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)

cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+) (PubChem CID 172965129) has the molecular formula C19H16FeN2 and a molecular weight of 328.20 g/mol. Its IUPAC name is cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)
PubChem CID172965129
Molecular FormulaC19H16FeN2
Molecular Weight328.20 g/mol
Exact Mass328.07
IUPAC Namecyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)
SMILESNc1nc2ccccc2cc1-[c-]1cccc1.[Fe+2].c1cc[cH-]c1
InChIInChI=1S/C14H11N2.C5H5.Fe/c15-14-12(10-5-1-2-6-10)9-11-7-3-4-8-13(11)16-14;1-2-4-5-3-1;/h1-9H,(H2,15,16);1-5H;/q2*-1;+2
InChIKeyWKJPGTUERVUPCT-UHFFFAOYSA-N
XLogP4.61
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)?
The IUPAC name of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+) (CID 172965129) is cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+).
What is the SMILES notation for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)?
The canonical SMILES for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+) is Nc1nc2ccccc2cc1-[c-]1cccc1.[Fe+2].c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)?
The InChIKey is WKJPGTUERVUPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2.C5H5.Fe/c15-14-12(10-5-1-2-6-10)9-11-7-3-4-8-13(11)16-14;1-2-4-5-3-1;/h1-9H,(H2,15,16);1-5H;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+)?
cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+) has a molecular weight of 328.20 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;3-cyclopenta-2,4-dien-1-ylquinolin-2-amine;iron(2+) is sourced from PubChem (CID 172965129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).