8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C16H12N2O — CID 11736764

IUPAC8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESNc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
InChIInChI=1S/C16H12N2O/c17-10-6-5-9-7-14-11-3-1-2-4-12(11)16(19)18-15(14)13(9)8-10/h1-6,8H,7,17H2,(H,18,19)
InChIKeyLQEYAIKMIJUZNT-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.68
Rot. Bonds

About 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 11736764) has the molecular formula C16H12N2O and a molecular weight of 248.29 g/mol. Its IUPAC name is 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID11736764
Molecular FormulaC16H12N2O
Molecular Weight248.29 g/mol
Exact Mass248.09
IUPAC Name8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESNc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2
InChIInChI=1S/C16H12N2O/c17-10-6-5-9-7-14-11-3-1-2-4-12(11)16(19)18-15(14)13(9)8-10/h1-6,8H,7,17H2,(H,18,19)
InChIKeyLQEYAIKMIJUZNT-UHFFFAOYSA-N
XLogP2.68
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 11736764) is 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is Nc1ccc2c(c1)-c1[nH]c(=O)c3ccccc3c1C2.
What is the InChIKey of 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is LQEYAIKMIJUZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-10-6-5-9-7-14-11-3-1-2-4-12(11)16(19)18-15(14)13(9)8-10/h1-6,8H,7,17H2,(H,18,19).
What are the key properties of 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 248.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 11736764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).