2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione

C21H16N4O2 — CID 90160720

IUPAC2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C21H16N4O2/c26-20-14-6-1-2-7-15(14)21(27)25(20)11-5-10-24-13-23-18-12-22-17-9-4-3-8-16(17)19(18)24/h1-4,6-9,12-13H,5,10-11H2
InChIKeyNMNFBNSJLAWXJG-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.27
Rot. Bonds4

About 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione

2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione (PubChem CID 90160720) has the molecular formula C21H16N4O2 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
PubChem CID90160720
Molecular FormulaC21H16N4O2
Molecular Weight356.38 g/mol
Exact Mass356.13
IUPAC Name2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C21H16N4O2/c26-20-14-6-1-2-7-15(14)21(27)25(20)11-5-10-24-13-23-18-12-22-17-9-4-3-8-16(17)19(18)24/h1-4,6-9,12-13H,5,10-11H2
InChIKeyNMNFBNSJLAWXJG-UHFFFAOYSA-N
XLogP3.27
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione (CID 90160720) is 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCn1cnc2cnc3ccccc3c21.
What is the InChIKey of 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione?
The InChIKey is NMNFBNSJLAWXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-20-14-6-1-2-7-15(14)21(27)25(20)11-5-10-24-13-23-18-12-22-17-9-4-3-8-16(17)19(18)24/h1-4,6-9,12-13H,5,10-11H2.
What are the key properties of 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione?
2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione has a molecular weight of 356.38 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 90160720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).