6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione

C22H15N3O2 — CID 1075260

IUPAC6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c2cccnc12
InChIInChI=1S/C22H15N3O2/c1-12-7-10-18(14-6-3-11-24-20(12)14)25-21(26)15-5-2-4-13-17(23)9-8-16(19(13)15)22(25)27/h2-11H,23H2,1H3
InChIKeyZRYFUTIHUVKZKZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.08
Rot. Bonds1

About 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione

6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 1075260) has the molecular formula C22H15N3O2 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID1075260
Molecular FormulaC22H15N3O2
Molecular Weight353.38 g/mol
Exact Mass353.12
IUPAC Name6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESCc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c2cccnc12
InChIInChI=1S/C22H15N3O2/c1-12-7-10-18(14-6-3-11-24-20(12)14)25-21(26)15-5-2-4-13-17(23)9-8-16(19(13)15)22(25)27/h2-11H,23H2,1H3
InChIKeyZRYFUTIHUVKZKZ-UHFFFAOYSA-N
XLogP4.08
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione (CID 1075260) is 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione is Cc1ccc(N2C(=O)c3cccc4c(N)ccc(c34)C2=O)c2cccnc12.
What is the InChIKey of 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is ZRYFUTIHUVKZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2/c1-12-7-10-18(14-6-3-11-24-20(12)14)25-21(26)15-5-2-4-13-17(23)9-8-16(19(13)15)22(25)27/h2-11H,23H2,1H3.
What are the key properties of 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione?
6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 353.38 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(8-methylquinolin-5-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1075260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).