3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one

C18H16N2O — CID 107853582

IUPAC3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one
SMILESNc1cc2ccccc2c(=O)n1C1Cc2ccccc2C1
InChIInChI=1S/C18H16N2O/c19-17-11-14-7-3-4-8-16(14)18(21)20(17)15-9-12-5-1-2-6-13(12)10-15/h1-8,11,15H,9-10,19H2
InChIKeyGNODAYZWCJMJAJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.92
Rot. Bonds1

About 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one

3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one (PubChem CID 107853582) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one
PubChem CID107853582
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one
SMILESNc1cc2ccccc2c(=O)n1C1Cc2ccccc2C1
InChIInChI=1S/C18H16N2O/c19-17-11-14-7-3-4-8-16(14)18(21)20(17)15-9-12-5-1-2-6-13(12)10-15/h1-8,11,15H,9-10,19H2
InChIKeyGNODAYZWCJMJAJ-UHFFFAOYSA-N
XLogP2.92
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one?
The IUPAC name of 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one (CID 107853582) is 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one.
What is the SMILES notation for 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one?
The canonical SMILES for 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one is Nc1cc2ccccc2c(=O)n1C1Cc2ccccc2C1.
What is the InChIKey of 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one?
The InChIKey is GNODAYZWCJMJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c19-17-11-14-7-3-4-8-16(14)18(21)20(17)15-9-12-5-1-2-6-13(12)10-15/h1-8,11,15H,9-10,19H2.
What are the key properties of 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one?
3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one has a molecular weight of 276.34 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3-dihydro-1H-inden-2-yl)isoquinolin-1-one is sourced from PubChem (CID 107853582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).