2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione

C17H10N2O2 — CID 971219

IUPAC2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccncc1
InChIInChI=1S/C17H10N2O2/c20-16-13-5-1-3-11-4-2-6-14(15(11)13)17(21)19(16)12-7-9-18-10-8-12/h1-10H
InChIKeyRVLNRXXBXDOIOA-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.04
Rot. Bonds1

About 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione

2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione (PubChem CID 971219) has the molecular formula C17H10N2O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione
PubChem CID971219
Molecular FormulaC17H10N2O2
Molecular Weight274.28 g/mol
Exact Mass274.07
IUPAC Name2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1c1ccncc1
InChIInChI=1S/C17H10N2O2/c20-16-13-5-1-3-11-4-2-6-14(15(11)13)17(21)19(16)12-7-9-18-10-8-12/h1-10H
InChIKeyRVLNRXXBXDOIOA-UHFFFAOYSA-N
XLogP3.04
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione (CID 971219) is 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1c1ccncc1.
What is the InChIKey of 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is RVLNRXXBXDOIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O2/c20-16-13-5-1-3-11-4-2-6-14(15(11)13)17(21)19(16)12-7-9-18-10-8-12/h1-10H.
What are the key properties of 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione?
2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 274.28 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-ylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 971219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).