4-amino-2-naphthalen-2-yl-3H-isoindol-1-one

C18H14N2O — CID 82165815

IUPAC4-amino-2-naphthalen-2-yl-3H-isoindol-1-one
SMILESNc1cccc2c1CN(c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C18H14N2O/c19-17-7-3-6-15-16(17)11-20(18(15)21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,11,19H2
InChIKeyPHOXGXHOABYDMS-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.58
Rot. Bonds1

About 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one

4-amino-2-naphthalen-2-yl-3H-isoindol-1-one (PubChem CID 82165815) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name4-amino-2-naphthalen-2-yl-3H-isoindol-1-one
PubChem CID82165815
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name4-amino-2-naphthalen-2-yl-3H-isoindol-1-one
SMILESNc1cccc2c1CN(c1ccc3ccccc3c1)C2=O
InChIInChI=1S/C18H14N2O/c19-17-7-3-6-15-16(17)11-20(18(15)21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,11,19H2
InChIKeyPHOXGXHOABYDMS-UHFFFAOYSA-N
XLogP3.58
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.58
H-Bond Donors ≤ 51
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 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one?
The IUPAC name of 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one (CID 82165815) is 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one.
What is the SMILES notation for 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one?
The canonical SMILES for 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one is Nc1cccc2c1CN(c1ccc3ccccc3c1)C2=O.
What is the InChIKey of 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one?
The InChIKey is PHOXGXHOABYDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c19-17-7-3-6-15-16(17)11-20(18(15)21)14-9-8-12-4-1-2-5-13(12)10-14/h1-10H,11,19H2.
What are the key properties of 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one?
4-amino-2-naphthalen-2-yl-3H-isoindol-1-one has a molecular weight of 274.32 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-naphthalen-2-yl-3H-isoindol-1-one is sourced from PubChem (CID 82165815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).